methyl 3-(4-naphthalen-1-ylphenyl)-3-[2-[4-(pyridin-2-ylamino)butanoylamino]ethanoylamino]propanoate

Systemtic Name: methyl 3-(4-naphthalen-1-ylphenyl)-3-[2-[4-(pyridin-2-ylamino)butanoylamino]ethanoylamino]propanoate Openeye Name: methyl 3-[4-(1-naphthyl)phenyl]-3-[[2-[4-(2-pyridylamino)butanoylamino]acetyl]amino]propanoate CAS Name: 3-[4-(1-naphthalenyl)phenyl]-3-[[1-oxo-2-[[1-oxo-4-(2-pyridinylamino)butyl]amino]ethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(4-naphthalen-1-ylphenyl)-3-[[2-[4-(pyridin-2-ylamino)butanoylamino]acetyl]amino]propanoate Traditional Name: 3-[4-(1-naphthyl)phenyl]-3-[[2-[4-(2-pyridylamino)butanoylamino]acetyl]amino]propionic acid methyl ester Formula: C31H32N4O4 MolecularWeight: 524.61018

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=C(C=C1)C2=CC=CC3=CC=CC=C32)NC(=O)CNC(=O)CCCNC4=CC=CC=N4

Isomeric SMILES

COC(=O)CC(C1=CC=C(C=C1)C2=CC=CC3=CC=CC=C32)NC(=O)CNC(=O)CCCNC4=CC=CC=N4

InChI

InChI=1S/C31H32N4O4/c1-39-31(38)20-27(35-30(37)21-34-29(36)13-7-19-33-28-12-4-5-18-32-28)24-16-14-23(15-17-24)26-11-6-9-22-8-2-3-10-25(22)26/h2-6,8-12,14-18,27H,7,13,19-21H2,1H3,(H,32,33)(H,34,36)(H,35,37)