methyl 4-[(3,5-dimethylphenyl)carbonyl-methyl-amino]-2-(1H-indol-3-ylmethyl)-5-phenyl-pentanoate

Systemtic Name: methyl 4-[(3,5-dimethylphenyl)carbonyl-methyl-amino]-2-(1H-indol-3-ylmethyl)-5-phenyl-pentanoate Openeye Name: methyl 4-[(3,5-dimethylbenzoyl)-methyl-amino]-2-(1H-indol-3-ylmethyl)-5-phenyl-pentanoate CAS Name: 4-[[(3,5-dimethylphenyl)-oxomethyl]-methylamino]-2-(1H-indol-3-ylmethyl)-5-phenylpentanoic acid methyl ester IUPAC Name: methyl 4-[(3,5-dimethylbenzoyl)-methylamino]-2-(1H-indol-3-ylmethyl)-5-phenylpentanoate Traditional Name: 4-[(3,5-dimethylbenzoyl)-methyl-amino]-2-(1H-indol-3-ylmethyl)-5-phenyl-valeric acid methyl ester Formula: C31H34N2O3 MolecularWeight: 482.61326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N(C)C(CC2=CC=CC=C2)CC(CC3=CNC4=CC=CC=C43)C(=O)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N(C)C(CC2=CC=CC=C2)CC(CC3=CNC4=CC=CC=C43)C(=O)OC)C

InChI

InChI=1S/C31H34N2O3/c1-21-14-22(2)16-24(15-21)30(34)33(3)27(17-23-10-6-5-7-11-23)19-25(31(35)36-4)18-26-20-32-29-13-9-8-12-28(26)29/h5-16,20,25,27,32H,17-19H2,1-4H3