2-[2-[(4-carbamimidoylphenyl)carbamoyl]-3-phenylmethoxy-phenyl]-6-(phenylmethyl)benzoic acid

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-3-phenylmethoxy-phenyl]-6-(phenylmethyl)benzoic acid Openeye Name: 2-benzyl-6-[3-benzyloxy-2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-3-phenylmethoxyphenyl]-6-(phenylmethyl)benzoic acid IUPAC Name: 2-benzyl-6-[2-[(4-carbamimidoylphenyl)carbamoyl]-3-phenylmethoxyphenyl]benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-3-benzoxy-phenyl]-6-benzyl-benzoic acid Formula: C35H29N3O4 MolecularWeight: 555.62246

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=CC(=C2C(=O)O)C3=C(C(=CC=C3)OCC4=CC=CC=C4)C(=O)NC5=CC=C(C=C5)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=CC(=C2C(=O)O)C3=C(C(=CC=C3)OCC4=CC=CC=C4)C(=O)NC5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C35H29N3O4/c36-33(37)25-17-19-27(20-18-25)38-34(39)32-29(15-8-16-30(32)42-22-24-11-5-2-6-12-24)28-14-7-13-26(31(28)35(40)41)21-23-9-3-1-4-10-23/h1-20H,21-22H2,(H3,36,37)(H,38,39)(H,40,41)