(E)-3-(4-ethoxyphenyl)-1-[(2S)-2-piperidin-1-ylcarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(4-ethoxyphenyl)-1-[(2S)-2-piperidin-1-ylcarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one Openeye Name: (E)-3-(4-ethoxyphenyl)-1-[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one CAS Name: (E)-3-(4-ethoxyphenyl)-1-[(2S)-2-[oxo(1-piperidinyl)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]-2-propen-1-one IUPAC Name: (E)-3-(4-ethoxyphenyl)-1-[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one Traditional Name: (E)-1-[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-3-p-phenetyl-prop-2-en-1-one Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=CC(=O)N2CC(OC3=CC=CC=C32)C(=O)N4CCCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)N2C[C@H](OC3=CC=CC=C32)C(=O)N4CCCCC4

InChI

InChI=1S/C25H28N2O4/c1-2-30-20-13-10-19(11-14-20)12-15-24(28)27-18-23(25(29)26-16-6-3-7-17-26)31-22-9-5-4-8-21(22)27/h4-5,8-15,23H,2-3,6-7,16-18H2,1H3/b15-12+/t23-/m0/s1