4-[4-[4-[(3,4-dichlorophenyl)methylamino]piperidin-1-yl]-4-oxidanylidene-butoxy]-2-propan-2-ylidene-1-benzofuran-3-one

Systemtic Name: 4-[4-[4-[(3,4-dichlorophenyl)methylamino]piperidin-1-yl]-4-oxidanylidene-butoxy]-2-propan-2-ylidene-1-benzofuran-3-one Openeye Name: 4-[4-[4-[(3,4-dichlorophenyl)methylamino]-1-piperidyl]-4-oxo-butoxy]-2-isopropylidene-benzofuran-3-one CAS Name: 4-[4-[4-[(3,4-dichlorophenyl)methylamino]-1-piperidinyl]-4-oxobutoxy]-2-propan-2-ylidene-3-benzofuranone IUPAC Name: 4-[4-[4-[(3,4-dichlorophenyl)methylamino]piperidin-1-yl]-4-oxobutoxy]-2-propan-2-ylidene-1-benzofuran-3-one Traditional Name: 4-[4-[4-[(3,4-dichlorobenzyl)amino]piperidino]-4-keto-butoxy]-2-isopropylidene-coumaran-3-one Formula: C27H30Cl2N2O4 MolecularWeight: 517.4441

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=O)C2=C(O1)C=CC=C2OCCCC(=O)N3CCC(CC3)NCC4=CC(=C(C=C4)Cl)Cl)C

Isomeric SMILES

CC(=C1C(=O)C2=C(O1)C=CC=C2OCCCC(=O)N3CCC(CC3)NCC4=CC(=C(C=C4)Cl)Cl)C

InChI

InChI=1S/C27H30Cl2N2O4/c1-17(2)27-26(33)25-22(5-3-6-23(25)35-27)34-14-4-7-24(32)31-12-10-19(11-13-31)30-16-18-8-9-20(28)21(29)15-18/h3,5-6,8-9,15,19,30H,4,7,10-14,16H2,1-2H3