3-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-8-methoxy-naphthalene-2-carboxylic acid

Systemtic Name: 3-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-8-methoxy-naphthalene-2-carboxylic acid Openeye Name: 3-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-8-methoxy-naphthalene-2-carboxylic acid CAS Name: 3-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-8-methoxy-2-naphthalenecarboxylic acid IUPAC Name: 3-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-8-methoxynaphthalene-2-carboxylic acid Traditional Name: 3-[2-[(4-amidinophenyl)carbamoyl]phenyl]-8-methoxy-2-naphthoic acid Formula: C26H21N3O4 MolecularWeight: 439.46264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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