(E)-but-2-enedioate; 5-[4-[(4-chlorophenyl)-phenyl-methoxy]piperidin-1-yl]pentanoate

Systemtic Name: (E)-but-2-enedioate; 5-[4-[(4-chlorophenyl)-phenyl-methoxy]piperidin-1-yl]pentanoate Openeye Name: (E)-but-2-enedioate; 5-[4-[(4-chlorophenyl)-phenyl-methoxy]-1-piperidyl]pentanoate CAS Name: (E)-2-butenedioate; 5-[4-[(4-chlorophenyl)-phenylmethoxy]-1-piperidinyl]pentanoate IUPAC Name: (E)-but-2-enedioate; 5-[4-[(4-chlorophenyl)-phenylmethoxy]piperidin-1-yl]pentanoate Traditional Name: 5-[4-[(4-chlorophenyl)-phenyl-methoxy]piperidino]valerate fumarate Formula: C27H29ClNO7-3 MolecularWeight: 514.97466

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)CCCCC(=O)[O-].C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1CN(CCC1OC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)CCCCC(=O)[O-].C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C23H28ClNO3.C4H4O4/c24-20-11-9-19(10-12-20)23(18-6-2-1-3-7-18)28-21-13-16-25(17-14-21)15-5-4-8-22(26)27;5-3(6)1-2-4(7)8/h1-3,6-7,9-12,21,23H,4-5,8,13-17H2,(H,26,27);1-2H,(H,5,6)(H,7,8)/p-3/b;2-1+