methyl 6-carbamimidoyl-4-[(2-methyl-3-oxidanyl-phenyl)carbonylamino]naphthalene-2-carboxylate

Systemtic Name: methyl 6-carbamimidoyl-4-[(2-methyl-3-oxidanyl-phenyl)carbonylamino]naphthalene-2-carboxylate Openeye Name: methyl 6-carbamimidoyl-4-[(3-hydroxy-2-methyl-benzoyl)amino]naphthalene-2-carboxylate CAS Name: 6-carbamimidoyl-4-[[(3-hydroxy-2-methylphenyl)-oxomethyl]amino]-2-naphthalenecarboxylic acid methyl ester IUPAC Name: methyl 6-carbamimidoyl-4-[(3-hydroxy-2-methylbenzoyl)amino]naphthalene-2-carboxylate Traditional Name: 6-amidino-4-[(3-hydroxy-2-methyl-benzoyl)amino]naphthalene-2-carboxylic acid methyl ester Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1O)C(=O)NC2=C3C=C(C=CC3=CC(=C2)C(=O)OC)C(=N)N

Isomeric SMILES

CC1=C(C=CC=C1O)C(=O)NC2=C3C=C(C=CC3=CC(=C2)C(=O)OC)C(=N)N

InChI

InChI=1S/C21H19N3O4/c1-11-15(4-3-5-18(11)25)20(26)24-17-10-14(21(27)28-2)8-12-6-7-13(19(22)23)9-16(12)17/h3-10,25H,1-2H3,(H3,22,23)(H,24,26)