3-[[[2-(3-methoxyphenyl)-2-oxidanyl-cyclohexyl]methylamino]methyl]-4,6-dimethyl-1H-indole-2-carboxylic acid

Systemtic Name: 3-[[[2-(3-methoxyphenyl)-2-oxidanyl-cyclohexyl]methylamino]methyl]-4,6-dimethyl-1H-indole-2-carboxylic acid Openeye Name: 3-[[[2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]methylamino]methyl]-4,6-dimethyl-1H-indole-2-carboxylic acid CAS Name: 3-[[[2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]methylamino]methyl]-4,6-dimethyl-1H-indole-2-carboxylic acid IUPAC Name: 3-[[[2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]methylamino]methyl]-4,6-dimethyl-1H-indole-2-carboxylic acid Traditional Name: 3-[[[2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]methylamino]methyl]-4,6-dimethyl-1H-indole-2-carboxylic acid Formula: C26H32N2O4 MolecularWeight: 436.54328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)NC(=C2CNCC3CCCCC3(C4=CC(=CC=C4)OC)O)C(=O)O)C

Isomeric SMILES

CC1=CC(=C2C(=C1)NC(=C2CNCC3CCCCC3(C4=CC(=CC=C4)OC)O)C(=O)O)C

InChI

InChI=1S/C26H32N2O4/c1-16-11-17(2)23-21(24(25(29)30)28-22(23)12-16)15-27-14-19-7-4-5-10-26(19,31)18-8-6-9-20(13-18)32-3/h6,8-9,11-13,19,27-28,31H,4-5,7,10,14-15H2,1-3H3,(H,29,30)