(phenylmethyl) 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-3-ethyl-benzoate

Systemtic Name: (phenylmethyl) 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-3-ethyl-benzoate Openeye Name: benzyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-3-ethyl-benzoate CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-3-ethylbenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-3-ethylbenzoate Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]-3-ethyl-benzoic acid benzyl ester Formula: C30H27N3O3 MolecularWeight: 477.55368

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=CC(=C1C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C30H27N3O3/c1-2-21-11-8-14-26(30(35)36-19-20-9-4-3-5-10-20)27(21)24-12-6-7-13-25(24)29(34)33-23-17-15-22(16-18-23)28(31)32/h3-18H,2,19H2,1H3,(H3,31,32)(H,33,34)