4-[(4-butylphenyl)amino]-6-methoxy-quinoline-3-carboxylic acid hydrochloride

Systemtic Name: 4-[(4-butylphenyl)amino]-6-methoxy-quinoline-3-carboxylic acid hydrochloride Openeye Name: 4-(4-butylanilino)-6-methoxy-quinoline-3-carboxylic acid hydrochloride CAS Name: 4-(4-butylanilino)-6-methoxy-3-quinolinecarboxylic acid hydrochloride IUPAC Name: 4-(4-butylanilino)-6-methoxyquinoline-3-carboxylic acid hydrochloride Traditional Name: 4-(4-butylanilino)-6-methoxy-quinoline-3-carboxylic acid hydrochloride Formula: C21H23ClN2O3 MolecularWeight: 386.87192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C3C=C(C=CC3=NC=C2C(=O)O)OC.Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C3C=C(C=CC3=NC=C2C(=O)O)OC.Cl

InChI

InChI=1S/C21H22N2O3.ClH/c1-3-4-5-14-6-8-15(9-7-14)23-20-17-12-16(26-2)10-11-19(17)22-13-18(20)21(24)25;/h6-13H,3-5H2,1-2H3,(H,22,23)(H,24,25);1H