methyl 4-[2-(1H-indol-3-yl)ethylimino]-2-(phenylmethyl)-2-(3-phenylpropanoylamino)butanoate

Systemtic Name: methyl 4-[2-(1H-indol-3-yl)ethylimino]-2-(phenylmethyl)-2-(3-phenylpropanoylamino)butanoate Openeye Name: methyl 2-benzyl-4-[2-(1H-indol-3-yl)ethylimino]-2-(3-phenylpropanoylamino)butanoate CAS Name: 4-[2-(1H-indol-3-yl)ethylimino]-2-[(1-oxo-3-phenylpropyl)amino]-2-(phenylmethyl)butanoic acid methyl ester IUPAC Name: methyl 2-benzyl-4-[2-(1H-indol-3-yl)ethylimino]-2-(3-phenylpropanoylamino)butanoate Traditional Name: 2-benzyl-2-(hydrocinnamoylamino)-4-[2-(1H-indol-3-yl)ethylimino]butyric acid methyl ester Formula: C31H33N3O3 MolecularWeight: 495.61202

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC=NCCC1=CNC2=CC=CC=C21)(CC3=CC=CC=C3)NC(=O)CCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C(CC=NCCC1=CNC2=CC=CC=C21)(CC3=CC=CC=C3)NC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C31H33N3O3/c1-37-30(36)31(22-25-12-6-3-7-13-25,34-29(35)17-16-24-10-4-2-5-11-24)19-21-32-20-18-26-23-33-28-15-9-8-14-27(26)28/h2-15,21,23,33H,16-20,22H2,1H3,(H,34,35)