methyl 3-[[5-oxidanylidene-1-[3-[(pyridin-2-ylamino)methyl]phenyl]pyrrolidin-3-yl]carbonylamino]-3-quinolin-3-yl-propanoate

Systemtic Name: methyl 3-[[5-oxidanylidene-1-[3-[(pyridin-2-ylamino)methyl]phenyl]pyrrolidin-3-yl]carbonylamino]-3-quinolin-3-yl-propanoate Openeye Name: methyl 3-[[5-oxo-1-[3-[(2-pyridylamino)methyl]phenyl]pyrrolidine-3-carbonyl]amino]-3-(3-quinolyl)propanoate CAS Name: 3-[[oxo-[5-oxo-1-[3-[(2-pyridinylamino)methyl]phenyl]-3-pyrrolidinyl]methyl]amino]-3-(3-quinolinyl)propanoic acid methyl ester IUPAC Name: methyl 3-[[5-oxo-1-[3-[(pyridin-2-ylamino)methyl]phenyl]pyrrolidine-3-carbonyl]amino]-3-quinolin-3-ylpropanoate Traditional Name: 3-[[5-keto-1-[3-[(2-pyridylamino)methyl]phenyl]pyrrolidine-3-carbonyl]amino]-3-(3-quinolyl)propionic acid methyl ester Formula: C30H29N5O4 MolecularWeight: 523.58236

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC2=CC=CC=C2N=C1)NC(=O)C3CC(=O)N(C3)C4=CC=CC(=C4)CNC5=CC=CC=N5

Isomeric SMILES

COC(=O)CC(C1=CC2=CC=CC=C2N=C1)NC(=O)C3CC(=O)N(C3)C4=CC=CC(=C4)CNC5=CC=CC=N5

InChI

InChI=1S/C30H29N5O4/c1-39-29(37)16-26(22-14-21-8-2-3-10-25(21)32-18-22)34-30(38)23-15-28(36)35(19-23)24-9-6-7-20(13-24)17-33-27-11-4-5-12-31-27/h2-14,18,23,26H,15-17,19H2,1H3,(H,31,33)(H,34,38)