3-[[[3-(dimethylaminomethyl)-4-(3-methoxyphenyl)-4-oxidanyl-cyclohexyl]amino]methyl]-5-methyl-1H-indole-2-carboxylic acid

Systemtic Name: 3-[[[3-(dimethylaminomethyl)-4-(3-methoxyphenyl)-4-oxidanyl-cyclohexyl]amino]methyl]-5-methyl-1H-indole-2-carboxylic acid Openeye Name: 3-[[[3-(dimethylaminomethyl)-4-hydroxy-4-(3-methoxyphenyl)cyclohexyl]amino]methyl]-5-methyl-1H-indole-2-carboxylic acid CAS Name: 3-[[[3-(dimethylaminomethyl)-4-hydroxy-4-(3-methoxyphenyl)cyclohexyl]amino]methyl]-5-methyl-1H-indole-2-carboxylic acid IUPAC Name: 3-[[[3-(dimethylaminomethyl)-4-hydroxy-4-(3-methoxyphenyl)cyclohexyl]amino]methyl]-5-methyl-1H-indole-2-carboxylic acid Traditional Name: 3-[[[3-(dimethylaminomethyl)-4-hydroxy-4-(3-methoxyphenyl)cyclohexyl]amino]methyl]-5-methyl-1H-indole-2-carboxylic acid Formula: C27H35N3O4 MolecularWeight: 465.5845

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2CNC3CCC(C(C3)CN(C)C)(C4=CC(=CC=C4)OC)O)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2CNC3CCC(C(C3)CN(C)C)(C4=CC(=CC=C4)OC)O)C(=O)O

InChI

InChI=1S/C27H35N3O4/c1-17-8-9-24-22(12-17)23(25(29-24)26(31)32)15-28-20-10-11-27(33,19(13-20)16-30(2)3)18-6-5-7-21(14-18)34-4/h5-9,12,14,19-20,28-29,33H,10-11,13,15-16H2,1-4H3,(H,31,32)