ethyl 4-[4-[(E)-3-(2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl)prop-2-enyl]piperazin-1-yl]benzoate

Systemtic Name: ethyl 4-[4-[(E)-3-(2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl)prop-2-enyl]piperazin-1-yl]benzoate Openeye Name: ethyl 4-[4-[(E)-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)allyl]piperazin-1-yl]benzoate CAS Name: 4-[4-[(E)-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)prop-2-enyl]-1-piperazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(E)-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)prop-2-enyl]piperazin-1-yl]benzoate Traditional Name: 4-[4-[(E)-3-(2-keto-3,4-dihydro-1H-quinolin-6-yl)allyl]piperazino]benzoic acid ethyl ester Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2CCN(CC2)CC=CC3=CC4=C(C=C3)NC(=O)CC4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2CCN(CC2)C/C=C/C3=CC4=C(C=C3)NC(=O)CC4

InChI

InChI=1S/C25H29N3O3/c1-2-31-25(30)20-6-9-22(10-7-20)28-16-14-27(15-17-28)13-3-4-19-5-11-23-21(18-19)8-12-24(29)26-23/h3-7,9-11,18H,2,8,12-17H2,1H3,(H,26,29)/b4-3+