methyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(4-methylpentanoyl)benzoate

Systemtic Name: methyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(4-methylpentanoyl)benzoate Openeye Name: methyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(4-methylpentanoyl)benzoate CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-5-(4-methyl-1-oxopentyl)benzoic acid methyl ester IUPAC Name: methyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(4-methylpentanoyl)benzoate Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]-5-(4-methylpentanoyl)benzoic acid methyl ester Formula: C28H29N3O4 MolecularWeight: 471.54756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)OC

Isomeric SMILES

CC(C)CCC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)OC

InChI

InChI=1S/C28H29N3O4/c1-17(2)8-15-25(32)19-11-14-22(24(16-19)28(34)35-3)21-6-4-5-7-23(21)27(33)31-20-12-9-18(10-13-20)26(29)30/h4-7,9-14,16-17H,8,15H2,1-3H3,(H3,29,30)(H,31,33)