ethyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(2-methylpropylcarbamoyl)benzoate

Systemtic Name: ethyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(2-methylpropylcarbamoyl)benzoate Openeye Name: ethyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(isobutylcarbamoyl)benzoate CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-5-[(2-methylpropylamino)-oxomethyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(2-methylpropylcarbamoyl)benzoate Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]-5-(isobutylcarbamoyl)benzoic acid ethyl ester Formula: C28H30N4O4 MolecularWeight: 486.5622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)C(=O)NCC(C)C)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)C(=O)NCC(C)C)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C28H30N4O4/c1-4-36-28(35)24-15-19(26(33)31-16-17(2)3)11-14-22(24)21-7-5-6-8-23(21)27(34)32-20-12-9-18(10-13-20)25(29)30/h5-15,17H,4,16H2,1-3H3,(H3,29,30)(H,31,33)(H,32,34)