(6-carbamimidoyl-7,8-dihydronaphthalen-2-yl) 4-[phenyl-(phenylmethyl)carbamoyl]benzoate

Systemtic Name: (6-carbamimidoyl-7,8-dihydronaphthalen-2-yl) 4-[phenyl-(phenylmethyl)carbamoyl]benzoate Openeye Name: (6-carbamimidoyl-7,8-dihydronaphthalen-2-yl) 4-[benzyl(phenyl)carbamoyl]benzoate CAS Name: 4-[oxo-(N-(phenylmethyl)anilino)methyl]benzoic acid (6-carbamimidoyl-7,8-dihydronaphthalen-2-yl) ester IUPAC Name: (6-carbamimidoyl-7,8-dihydronaphthalen-2-yl) 4-[benzyl(phenyl)carbamoyl]benzoate Traditional Name: 4-[benzyl(phenyl)carbamoyl]benzoic acid (6-amidino-7,8-dihydronaphthalen-2-yl) ester Formula: C32H27N3O3 MolecularWeight: 501.57508

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)OC(=O)C3=CC=C(C=C3)C(=O)N(CC4=CC=CC=C4)C5=CC=CC=C5)C=C1C(=N)N

Isomeric SMILES

C1CC2=C(C=CC(=C2)OC(=O)C3=CC=C(C=C3)C(=O)N(CC4=CC=CC=C4)C5=CC=CC=C5)C=C1C(=N)N

InChI

InChI=1S/C32H27N3O3/c33-30(34)27-16-15-26-20-29(18-17-25(26)19-27)38-32(37)24-13-11-23(12-14-24)31(36)35(28-9-5-2-6-10-28)21-22-7-3-1-4-8-22/h1-14,17-20H,15-16,21H2,(H3,33,34)