2-[3-[(4-carbamimidoylphenyl)carbamoyl]-8-methoxy-naphthalen-2-yl]benzoic acid

Systemtic Name: 2-[3-[(4-carbamimidoylphenyl)carbamoyl]-8-methoxy-naphthalen-2-yl]benzoic acid Openeye Name: 2-[3-[(4-carbamimidoylphenyl)carbamoyl]-8-methoxy-2-naphthyl]benzoic acid CAS Name: 2-[3-[(4-carbamimidoylanilino)-oxomethyl]-8-methoxy-2-naphthalenyl]benzoic acid IUPAC Name: 2-[3-[(4-carbamimidoylphenyl)carbamoyl]-8-methoxynaphthalen-2-yl]benzoic acid Traditional Name: 2-[3-[(4-amidinophenyl)carbamoyl]-8-methoxy-2-naphthyl]benzoic acid Formula: C26H21N3O4 MolecularWeight: 439.46264

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=CC(=C(C=C21)C3=CC=CC=C3C(=O)O)C(=O)NC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

COC1=CC=CC2=CC(=C(C=C21)C3=CC=CC=C3C(=O)O)C(=O)NC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C26H21N3O4/c1-33-23-8-4-5-16-13-22(25(30)29-17-11-9-15(10-12-17)24(27)28)21(14-20(16)23)18-6-2-3-7-19(18)26(31)32/h2-14H,1H3,(H3,27,28)(H,29,30)(H,31,32)