2-[3-[(4-carbamimidoylphenyl)carbamoyl]-7-methoxy-naphthalen-2-yl]benzoic acid

Systemtic Name: 2-[3-[(4-carbamimidoylphenyl)carbamoyl]-7-methoxy-naphthalen-2-yl]benzoic acid Openeye Name: 2-[3-[(4-carbamimidoylphenyl)carbamoyl]-7-methoxy-2-naphthyl]benzoic acid CAS Name: 2-[3-[(4-carbamimidoylanilino)-oxomethyl]-7-methoxy-2-naphthalenyl]benzoic acid IUPAC Name: 2-[3-[(4-carbamimidoylphenyl)carbamoyl]-7-methoxynaphthalen-2-yl]benzoic acid Traditional Name: 2-[3-[(4-amidinophenyl)carbamoyl]-7-methoxy-2-naphthyl]benzoic acid Formula: C26H21N3O4 MolecularWeight: 439.46264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC(=C(C=C2C=C1)C(=O)NC3=CC=C(C=C3)C(=N)N)C4=CC=CC=C4C(=O)O

Isomeric SMILES

COC1=CC2=CC(=C(C=C2C=C1)C(=O)NC3=CC=C(C=C3)C(=N)N)C4=CC=CC=C4C(=O)O

InChI

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