O4-(3-methyl-2-phenyl-pentanoyl) O1-(1-methylpiperidin-4-yl) (E)-but-2-enedioate

Systemtic Name: O4-(3-methyl-2-phenyl-pentanoyl) O1-(1-methylpiperidin-4-yl) (E)-but-2-enedioate Openeye Name: O4-(3-methyl-2-phenyl-pentanoyl) O1-(1-methyl-4-piperidyl) (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O4-(3-methyl-1-oxo-2-phenylpentyl) ester O1-(1-methyl-4-piperidinyl) ester IUPAC Name: 4-O-(3-methyl-2-phenylpentanoyl) 1-O-(1-methylpiperidin-4-yl) (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O4-(3-methyl-2-phenyl-pentanoyl) ester O1-(1-methyl-4-piperidyl) ester Formula: C22H29NO5 MolecularWeight: 387.46936

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C1=CC=CC=C1)C(=O)OC(=O)C=CC(=O)OC2CCN(CC2)C

Isomeric SMILES

CCC(C)C(C1=CC=CC=C1)C(=O)OC(=O)/C=C/C(=O)OC2CCN(CC2)C

InChI

InChI=1S/C22H29NO5/c1-4-16(2)21(17-8-6-5-7-9-17)22(26)28-20(25)11-10-19(24)27-18-12-14-23(3)15-13-18/h5-11,16,18,21H,4,12-15H2,1-3H3/b11-10+