3-[[[2-(3-methoxyphenyl)-2-oxidanyl-cyclohexyl]methylamino]methyl]-5-methyl-1H-indole-2-carboxylic acid

Systemtic Name: 3-[[[2-(3-methoxyphenyl)-2-oxidanyl-cyclohexyl]methylamino]methyl]-5-methyl-1H-indole-2-carboxylic acid Openeye Name: 3-[[[2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]methylamino]methyl]-5-methyl-1H-indole-2-carboxylic acid CAS Name: 3-[[[2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]methylamino]methyl]-5-methyl-1H-indole-2-carboxylic acid IUPAC Name: 3-[[[2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]methylamino]methyl]-5-methyl-1H-indole-2-carboxylic acid Traditional Name: 3-[[[2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]methylamino]methyl]-5-methyl-1H-indole-2-carboxylic acid Formula: C25H30N2O4 MolecularWeight: 422.5167

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2CNCC3CCCCC3(C4=CC(=CC=C4)OC)O)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2CNCC3CCCCC3(C4=CC(=CC=C4)OC)O)C(=O)O

InChI

InChI=1S/C25H30N2O4/c1-16-9-10-22-20(12-16)21(23(27-22)24(28)29)15-26-14-18-6-3-4-11-25(18,30)17-7-5-8-19(13-17)31-2/h5,7-10,12-13,18,26-27,30H,3-4,6,11,14-15H2,1-2H3,(H,28,29)