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

Systemtic Name: methyl 3-[[[3-(dimethylaminomethyl)-4-(3-methoxyphenyl)-4-oxidanyl-cyclohexyl]amino]methyl]-5-methyl-1H-indole-2-carboxylate Openeye Name: methyl 3-[[[3-(dimethylaminomethyl)-4-hydroxy-4-(3-methoxyphenyl)cyclohexyl]amino]methyl]-5-methyl-1H-indole-2-carboxylate CAS Name: 3-[[[3-(dimethylaminomethyl)-4-hydroxy-4-(3-methoxyphenyl)cyclohexyl]amino]methyl]-5-methyl-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[[3-(dimethylaminomethyl)-4-hydroxy-4-(3-methoxyphenyl)cyclohexyl]amino]methyl]-5-methyl-1H-indole-2-carboxylate Traditional Name: 3-[[[3-(dimethylaminomethyl)-4-hydroxy-4-(3-methoxyphenyl)cyclohexyl]amino]methyl]-5-methyl-1H-indole-2-carboxylic acid methyl ester Formula: C28H37N3O4 MolecularWeight: 479.61108

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H37N3O4/c1-18-9-10-25-23(13-18)24(26(30-25)27(32)35-5)16-29-21-11-12-28(33,20(14-21)17-31(2)3)19-7-6-8-22(15-19)34-4/h6-10,13,15,20-21,29-30,33H,11-12,14,16-17H2,1-5H3