[(3S)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone

Systemtic Name: [(3S)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone Openeye Name: [(3S)-1-(1,3-benzodioxol-4-ylmethyl)-3-piperidyl]-(3-isopropoxyphenyl)methanone CAS Name: [(3S)-1-(1,3-benzodioxol-4-ylmethyl)-3-piperidinyl]-(3-propan-2-yloxyphenyl)methanone IUPAC Name: [(3S)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone Traditional Name: [(3S)-1-(1,3-benzodioxol-4-ylmethyl)-3-piperidyl]-(3-isopropoxyphenyl)methanone Formula: C23H27NO4 MolecularWeight: 381.46478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)C2CCCN(C2)CC3=C4C(=CC=C3)OCO4

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)[C@H]2CCCN(C2)CC3=C4C(=CC=C3)OCO4

InChI

InChI=1S/C23H27NO4/c1-16(2)28-20-9-3-6-17(12-20)22(25)18-8-5-11-24(13-18)14-19-7-4-10-21-23(19)27-15-26-21/h3-4,6-7,9-10,12,16,18H,5,8,11,13-15H2,1-2H3/t18-/m0/s1