(E)-4-oxidanylidene-4-[3-(4-phenylpiperidin-1-yl)propoxy]but-2-enoate; pyrrolidine-3-carboxamide

Systemtic Name: (E)-4-oxidanylidene-4-[3-(4-phenylpiperidin-1-yl)propoxy]but-2-enoate; pyrrolidine-3-carboxamide Openeye Name: (E)-4-oxo-4-[3-(4-phenyl-1-piperidyl)propoxy]but-2-enoate; pyrrolidine-3-carboxamide CAS Name: (E)-4-oxo-4-[3-(4-phenyl-1-piperidinyl)propoxy]-2-butenoate; 3-pyrrolidinecarboxamide IUPAC Name: (E)-4-oxo-4-[3-(4-phenylpiperidin-1-yl)propoxy]but-2-enoate; pyrrolidine-3-carboxamide Traditional Name: (E)-4-keto-4-[3-(4-phenylpiperidino)propoxy]but-2-enoate; pyrrolidine-3-carboxamide Formula: C23H32N3O5- MolecularWeight: 430.51728

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1C(=O)N.C1CN(CCC1C2=CC=CC=C2)CCCOC(=O)C=CC(=O)[O-]

Isomeric SMILES

C1CNCC1C(=O)N.C1CN(CCC1C2=CC=CC=C2)CCCOC(=O)/C=C/C(=O)[O-]

InChI

InChI=1S/C18H23NO4.C5H10N2O/c20-17(21)7-8-18(22)23-14-4-11-19-12-9-16(10-13-19)15-5-2-1-3-6-15;6-5(8)4-1-2-7-3-4/h1-3,5-8,16H,4,9-14H2,(H,20,21);4,7H,1-3H2,(H2,6,8)/p-1/b8-7+;