3-[2-(cyclohexen-1-yl)ethyl]-5-[(1S)-2-ethanoyl-3,4-dihydro-1H-isoquinolin-1-yl]-2,6-bis(oxidanylidene)pyrimidin-4-olate

Systemtic Name: 3-[2-(cyclohexen-1-yl)ethyl]-5-[(1S)-2-ethanoyl-3,4-dihydro-1H-isoquinolin-1-yl]-2,6-bis(oxidanylidene)pyrimidin-4-olate Openeye Name: 5-[(1S)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-3-[2-(cyclohexen-1-yl)ethyl]-2,6-dioxo-pyrimidin-4-olate CAS Name: 5-[(1S)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-3-[2-(1-cyclohexenyl)ethyl]-2,6-dioxo-4-pyrimidinolate IUPAC Name: 5-[(1S)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-3-[2-(cyclohexen-1-yl)ethyl]-2,6-dioxopyrimidin-4-olate Traditional Name: 5-[(1S)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-3-[2-(cyclohexen-1-yl)ethyl]-2,6-diketo-pyrimidin-4-olate Formula: C23H26N3O4- MolecularWeight: 408.47024

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=CC=CC=C2C1C3=C(N(C(=O)NC3=O)CCC4=CCCCC4)[O-]

Isomeric SMILES

CC(=O)N1CCC2=CC=CC=C2[C@H]1C3=C(N(C(=O)NC3=O)CCC4=CCCCC4)[O-]

InChI

InChI=1S/C23H27N3O4/c1-15(27)25-14-12-17-9-5-6-10-18(17)20(25)19-21(28)24-23(30)26(22(19)29)13-11-16-7-3-2-4-8-16/h5-7,9-10,20,29H,2-4,8,11-14H2,1H3,(H,24,28,30)/p-1/t20-/m0/s1