2-diethylaminoethyl 4-[(2-naphthalen-1-ylquinolin-4-yl)carbonylamino]benzoate hydrochloride

Systemtic Name: 2-diethylaminoethyl 4-[(2-naphthalen-1-ylquinolin-4-yl)carbonylamino]benzoate hydrochloride Openeye Name: 2-diethylaminoethyl 4-[[2-(1-naphthyl)quinoline-4-carbonyl]amino]benzoate hydrochloride CAS Name: 4-[[[2-(1-naphthalenyl)-4-quinolinyl]-oxomethyl]amino]benzoic acid 2-diethylaminoethyl ester hydrochloride IUPAC Name: 2-diethylaminoethyl 4-[(2-naphthalen-1-ylquinoline-4-carbonyl)amino]benzoate hydrochloride Traditional Name: 4-[[2-(1-naphthyl)quinoline-4-carbonyl]amino]benzoic acid 2-diethylaminoethyl ester hydrochloride Formula: C33H32ClN3O3 MolecularWeight: 554.07848

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC5=CC=CC=C54.Cl

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC5=CC=CC=C54.Cl

InChI

InChI=1S/C33H31N3O3.ClH/c1-3-36(4-2)20-21-39-33(38)24-16-18-25(19-17-24)34-32(37)29-22-31(35-30-15-8-7-13-28(29)30)27-14-9-11-23-10-5-6-12-26(23)27;/h5-19,22H,3-4,20-21H2,1-2H3,(H,34,37);1H