ethyl 2-carbamimidoyl-3-[[2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl]-phenyl-carbamoyl]benzoate

Systemtic Name: ethyl 2-carbamimidoyl-3-[[2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl]-phenyl-carbamoyl]benzoate Openeye Name: ethyl 2-carbamimidoyl-3-[[2-oxo-2-(p-tolylmethylamino)ethyl]-phenyl-carbamoyl]benzoate CAS Name: 2-carbamimidoyl-3-[(N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]anilino)-oxomethyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-carbamimidoyl-3-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-phenylcarbamoyl]benzoate Traditional Name: 2-amidino-3-[[2-keto-2-[(4-methylbenzyl)amino]ethyl]-phenyl-carbamoyl]benzoic acid ethyl ester Formula: C27H28N4O4 MolecularWeight: 472.53562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC(=C1C(=N)N)C(=O)N(CC(=O)NCC2=CC=C(C=C2)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=CC(=C1C(=N)N)C(=O)N(CC(=O)NCC2=CC=C(C=C2)C)C3=CC=CC=C3

InChI

InChI=1S/C27H28N4O4/c1-3-35-27(34)22-11-7-10-21(24(22)25(28)29)26(33)31(20-8-5-4-6-9-20)17-23(32)30-16-19-14-12-18(2)13-15-19/h4-15H,3,16-17H2,1-2H3,(H3,28,29)(H,30,32)