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

Systemtic Name: 2-[3-[(4-carbamimidoylphenyl)carbamoyl]naphthalen-2-yl]-5-methyl-benzoic acid Openeye Name: 2-[3-[(4-carbamimidoylphenyl)carbamoyl]-2-naphthyl]-5-methyl-benzoic acid CAS Name: 2-[3-[(4-carbamimidoylanilino)-oxomethyl]-2-naphthalenyl]-5-methylbenzoic acid IUPAC Name: 2-[3-[(4-carbamimidoylphenyl)carbamoyl]naphthalen-2-yl]-5-methylbenzoic acid Traditional Name: 2-[3-[(4-amidinophenyl)carbamoyl]-2-naphthyl]-5-methyl-benzoic acid Formula: C26H21N3O3 MolecularWeight: 423.46324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=CC3=CC=CC=C3C=C2C(=O)NC4=CC=C(C=C4)C(=N)N)C(=O)O

Isomeric SMILES

CC1=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/C26H21N3O3/c1-15-6-11-20(23(12-15)26(31)32)21-13-17-4-2-3-5-18(17)14-22(21)25(30)29-19-9-7-16(8-10-19)24(27)28/h2-14H,1H3,(H3,27,28)(H,29,30)(H,31,32)