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

Systemtic Name: methyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethenyl-5-methyl-phenyl]-5-ethanoyl-benzoate Openeye Name: methyl 5-acetyl-2-[2-[(4-carbamimidoylphenyl)carbamoyl]-5-methyl-4-vinyl-phenyl]benzoate CAS Name: 5-acetyl-2-[2-[(4-carbamimidoylanilino)-oxomethyl]-4-ethenyl-5-methylphenyl]benzoic acid methyl ester IUPAC Name: methyl 5-acetyl-2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethenyl-5-methylphenyl]benzoate Traditional Name: 5-acetyl-2-[2-[(4-amidinophenyl)carbamoyl]-5-methyl-4-vinyl-phenyl]benzoic acid methyl ester Formula: C27H25N3O4 MolecularWeight: 455.5051

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)C2=C(C=C(C=C2)C(=O)C)C(=O)OC)C(=O)NC3=CC=C(C=C3)C(=N)N)C=C

Isomeric SMILES

CC1=C(C=C(C(=C1)C2=C(C=C(C=C2)C(=O)C)C(=O)OC)C(=O)NC3=CC=C(C=C3)C(=N)N)C=C

InChI

InChI=1S/C27H25N3O4/c1-5-17-13-23(26(32)30-20-9-6-18(7-10-20)25(28)29)22(12-15(17)2)21-11-8-19(16(3)31)14-24(21)27(33)34-4/h5-14H,1H2,2-4H3,(H3,28,29)(H,30,32)