propyl 4-[1-(dimethylamino)-4-oxidanylidene-5-(3-phenylpropyl)pyridin-3-yl]benzoate

Systemtic Name: propyl 4-[1-(dimethylamino)-4-oxidanylidene-5-(3-phenylpropyl)pyridin-3-yl]benzoate Openeye Name: propyl 4-[1-(dimethylamino)-4-oxo-5-(3-phenylpropyl)-3-pyridyl]benzoate CAS Name: 4-[1-(dimethylamino)-4-oxo-5-(3-phenylpropyl)-3-pyridinyl]benzoic acid propyl ester IUPAC Name: propyl 4-[1-(dimethylamino)-4-oxo-5-(3-phenylpropyl)pyridin-3-yl]benzoate Traditional Name: 4-[1-(dimethylamino)-4-keto-5-(3-phenylpropyl)-3-pyridyl]benzoic acid propyl ester Formula: C26H30N2O3 MolecularWeight: 418.528

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)C2=CN(C=C(C2=O)CCCC3=CC=CC=C3)N(C)C

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)C2=CN(C=C(C2=O)CCCC3=CC=CC=C3)N(C)C

InChI

InChI=1S/C26H30N2O3/c1-4-17-31-26(30)22-15-13-21(14-16-22)24-19-28(27(2)3)18-23(25(24)29)12-8-11-20-9-6-5-7-10-20/h5-7,9-10,13-16,18-19H,4,8,11-12,17H2,1-3H3