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

Systemtic Name: 3-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-methyl-phenyl]naphthalene-2-carboxylic acid Openeye Name: 3-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-methyl-phenyl]naphthalene-2-carboxylic acid CAS Name: 3-[2-[(4-carbamimidoylanilino)-oxomethyl]-4-methylphenyl]-2-naphthalenecarboxylic acid IUPAC Name: 3-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-methylphenyl]naphthalene-2-carboxylic acid Traditional Name: 3-[2-[(4-amidinophenyl)carbamoyl]-4-methyl-phenyl]-2-naphthoic 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)O)C(=O)NC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

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

InChI

InChI=1S/C26H21N3O3/c1-15-6-11-20(21-13-17-4-2-3-5-18(17)14-23(21)26(31)32)22(12-15)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)