methyl 3-[[(phenylmethyl)amino]methyl]-1-[2-(phenylmethyl)butyl]indole-5-carboxylate

Systemtic Name: methyl 3-[[(phenylmethyl)amino]methyl]-1-[2-(phenylmethyl)butyl]indole-5-carboxylate Openeye Name: methyl 3-[(benzylamino)methyl]-1-(2-benzylbutyl)indole-5-carboxylate CAS Name: 3-[[(phenylmethyl)amino]methyl]-1-[2-(phenylmethyl)butyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-[(benzylamino)methyl]-1-(2-benzylbutyl)indole-5-carboxylate Traditional Name: 3-[(benzylamino)methyl]-1-(2-benzylbutyl)indole-5-carboxylic acid methyl ester Formula: C29H32N2O2 MolecularWeight: 440.57658

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)CN2C=C(C3=C2C=CC(=C3)C(=O)OC)CNCC4=CC=CC=C4

Isomeric SMILES

CCC(CC1=CC=CC=C1)CN2C=C(C3=C2C=CC(=C3)C(=O)OC)CNCC4=CC=CC=C4

InChI

InChI=1S/C29H32N2O2/c1-3-22(16-23-10-6-4-7-11-23)20-31-21-26(19-30-18-24-12-8-5-9-13-24)27-17-25(29(32)33-2)14-15-28(27)31/h4-15,17,21-22,30H,3,16,18-20H2,1-2H3