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

Systemtic Name: (phenylmethyl) 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-methyl-phenyl]-5-methoxy-benzoate Openeye Name: benzyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-methyl-phenyl]-5-methoxy-benzoate CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-4-methylphenyl]-5-methoxybenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-methylphenyl]-5-methoxybenzoate Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-4-methyl-phenyl]-5-methoxy-benzoic acid benzyl ester Formula: C30H27N3O4 MolecularWeight: 493.55308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=C(C=C(C=C2)OC)C(=O)OCC3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CC1=CC(=C(C=C1)C2=C(C=C(C=C2)OC)C(=O)OCC3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C30H27N3O4/c1-19-8-14-24(26(16-19)29(34)33-22-11-9-21(10-12-22)28(31)32)25-15-13-23(36-2)17-27(25)30(35)37-18-20-6-4-3-5-7-20/h3-17H,18H2,1-2H3,(H3,31,32)(H,33,34)