ethyl 3-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]-3-quinolin-3-yl-propanoate

Systemtic Name: ethyl 3-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]-3-quinolin-3-yl-propanoate Openeye Name: ethyl 3-[[4-(4-carbamimidoylanilino)-4-oxo-butanoyl]amino]-3-(3-quinolyl)propanoate CAS Name: 3-[[4-(4-carbamimidoylanilino)-1,4-dioxobutyl]amino]-3-(3-quinolinyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(4-carbamimidoylanilino)-4-oxobutanoyl]amino]-3-quinolin-3-ylpropanoate Traditional Name: 3-[[4-(4-amidinoanilino)-4-keto-butanoyl]amino]-3-(3-quinolyl)propionic acid ethyl ester Formula: C25H27N5O4 MolecularWeight: 461.51298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC2=CC=CC=C2N=C1)NC(=O)CCC(=O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCOC(=O)CC(C1=CC2=CC=CC=C2N=C1)NC(=O)CCC(=O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C25H27N5O4/c1-2-34-24(33)14-21(18-13-17-5-3-4-6-20(17)28-15-18)30-23(32)12-11-22(31)29-19-9-7-16(8-10-19)25(26)27/h3-10,13,15,21H,2,11-12,14H2,1H3,(H3,26,27)(H,29,31)(H,30,32)