ethyl 3-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]-4-phenyl-butanoate

Systemtic Name: ethyl 3-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]-4-phenyl-butanoate Openeye Name: ethyl 3-[[4-(4-carbamimidoylanilino)-4-oxo-butanoyl]amino]-4-phenyl-butanoate CAS Name: 3-[[4-(4-carbamimidoylanilino)-1,4-dioxobutyl]amino]-4-phenylbutanoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(4-carbamimidoylanilino)-4-oxobutanoyl]amino]-4-phenylbutanoate Traditional Name: 3-[[4-(4-amidinoanilino)-4-keto-butanoyl]amino]-4-phenyl-butyric acid ethyl ester Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CC1=CC=CC=C1)NC(=O)CCC(=O)NC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCOC(=O)CC(CC1=CC=CC=C1)NC(=O)CCC(=O)NC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C23H28N4O4/c1-2-31-22(30)15-19(14-16-6-4-3-5-7-16)27-21(29)13-12-20(28)26-18-10-8-17(9-11-18)23(24)25/h3-11,19H,2,12-15H2,1H3,(H3,24,25)(H,26,28)(H,27,29)