4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid; 1-(diethylamino)propan-2-yl 2-cyclohexyl-2-oxidanyl-cyclohexane-1-carboxylate

Systemtic Name: 4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid; 1-(diethylamino)propan-2-yl 2-cyclohexyl-2-oxidanyl-cyclohexane-1-carboxylate Openeye Name: 4-[(3-carboxy-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-naphthalene-2-carboxylic acid; [2-(diethylamino)-1-methyl-ethyl] 2-cyclohexyl-2-hydroxy-cyclohexanecarboxylate CAS Name: 4-[(3-carboxy-2-hydroxy-1-naphthalenyl)methyl]-3-hydroxy-2-naphthalenecarboxylic acid; 2-cyclohexyl-2-hydroxy-1-cyclohexanecarboxylic acid 1-(diethylamino)propan-2-yl ester IUPAC Name: 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid; 1-(diethylamino)propan-2-yl 2-cyclohexyl-2-hydroxycyclohexane-1-carboxylate Traditional Name: 4-[(3-carboxy-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-2-naphthoic acid; 2-cyclohexyl-2-hydroxy-cyclohexanecarboxylic acid [2-(diethylamino)-1-methyl-ethyl] ester Formula: C43H53NO9 MolecularWeight: 727.88222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(C)OC(=O)C1CCCCC1(C2CCCCC2)O.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O

Isomeric SMILES

CCN(CC)CC(C)OC(=O)C1CCCCC1(C2CCCCC2)O.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O

InChI

InChI=1S/C23H16O6.C20H37NO3/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;1-4-21(5-2)15-16(3)24-19(22)18-13-9-10-14-20(18,23)17-11-7-6-8-12-17/h1-10,24-25H,11H2,(H,26,27)(H,28,29);16-18,23H,4-15H2,1-3H3