4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid; 1-(2-cyanoprop-2-enyl)piperidine-4-carboxylic acid

Systemtic Name: 4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid; 1-(2-cyanoprop-2-enyl)piperidine-4-carboxylic acid Openeye Name: 4-[(3-carboxy-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-naphthalene-2-carboxylic acid; 1-(2-cyanoallyl)piperidine-4-carboxylic acid CAS Name: 4-[(3-carboxy-2-hydroxy-1-naphthalenyl)methyl]-3-hydroxy-2-naphthalenecarboxylic acid; 1-(2-cyanoprop-2-enyl)-4-piperidinecarboxylic acid IUPAC Name: 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid; 1-(2-cyanoprop-2-enyl)piperidine-4-carboxylic acid Traditional Name: 4-[(3-carboxy-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-2-naphthoic acid; 1-(2-cyanoallyl)isonipecotic acid Formula: C33H30N2O8 MolecularWeight: 582.5999

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Descriptors Computed from Structure

Canonical SMILES:

C=C(CN1CCC(CC1)C(=O)O)C#N.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O

Isomeric SMILES

C=C(CN1CCC(CC1)C(=O)O)C#N.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.C10H14N2O2/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;1-8(6-11)7-12-4-2-9(3-5-12)10(13)14/h1-10,24-25H,11H2,(H,26,27)(H,28,29);9H,1-5,7H2,(H,13,14)