2-[3-[(4-carbamimidoylphenyl)carbamoyl]naphthalen-2-yl]-5-methoxy-benzoic acid

Systemtic Name: 2-[3-[(4-carbamimidoylphenyl)carbamoyl]naphthalen-2-yl]-5-methoxy-benzoic acid Openeye Name: 2-[3-[(4-carbamimidoylphenyl)carbamoyl]-2-naphthyl]-5-methoxy-benzoic acid CAS Name: 2-[3-[(4-carbamimidoylanilino)-oxomethyl]-2-naphthalenyl]-5-methoxybenzoic acid IUPAC Name: 2-[3-[(4-carbamimidoylphenyl)carbamoyl]naphthalen-2-yl]-5-methoxybenzoic acid Traditional Name: 2-[3-[(4-amidinophenyl)carbamoyl]-2-naphthyl]-5-methoxy-benzoic acid Formula: C26H21N3O4 MolecularWeight: 439.46264

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=CC3=CC=CC=C3C=C2C(=O)NC4=CC=C(C=C4)C(=N)N)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)C2=CC3=CC=CC=C3C=C2C(=O)NC4=CC=C(C=C4)C(=N)N)C(=O)O

InChI

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