O1-methyl O4-[2-(2-propan-2-yloxyphenyl)piperazin-1-yl] (E)-but-2-enedioate; 1-(phenylcarbonyl)piperidin-2-one

Systemtic Name: O1-methyl O4-[2-(2-propan-2-yloxyphenyl)piperazin-1-yl] (E)-but-2-enedioate; 1-(phenylcarbonyl)piperidin-2-one Openeye Name: 1-benzoylpiperidin-2-one; O4-[2-(2-isopropoxyphenyl)piperazin-1-yl] O1-methyl (E)-but-2-enedioate CAS Name: 1-benzoyl-2-piperidinone; (E)-2-butenedioic acid O1-methyl ester O4-[2-(2-propan-2-yloxyphenyl)-1-piperazinyl] ester IUPAC Name: 1-benzoylpiperidin-2-one; 1-O-methyl 4-O-[2-(2-propan-2-yloxyphenyl)piperazin-1-yl] (E)-but-2-enedioate Traditional Name: 1-benzoyl-2-piperidone; (E)-but-2-enedioic acid O4-[2-(2-isopropoxyphenyl)piperazino] ester O1-methyl ester Formula: C30H37N3O7 MolecularWeight: 551.63068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1C2CNCCN2OC(=O)C=CC(=O)OC.C1CCN(C(=O)C1)C(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)OC1=CC=CC=C1C2CNCCN2OC(=O)/C=C/C(=O)OC.C1CCN(C(=O)C1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H24N2O5.C12H13NO2/c1-13(2)24-16-7-5-4-6-14(16)15-12-19-10-11-20(15)25-18(22)9-8-17(21)23-3;14-11-8-4-5-9-13(11)12(15)10-6-2-1-3-7-10/h4-9,13,15,19H,10-12H2,1-3H3;1-3,6-7H,4-5,8-9H2/b9-8+;