1-[1-(cyclopropylmethyl)-4-(2-phenoxyphenyl)piperidin-4-yl]ethanone; ethanedioic acid

Systemtic Name: 1-[1-(cyclopropylmethyl)-4-(2-phenoxyphenyl)piperidin-4-yl]ethanone; ethanedioic acid Openeye Name: 1-[1-(cyclopropylmethyl)-4-(2-phenoxyphenyl)-4-piperidyl]ethanone; oxalic acid CAS Name: 1-[1-(cyclopropylmethyl)-4-(2-phenoxyphenyl)-4-piperidinyl]ethanone; oxalic acid IUPAC Name: 1-[1-(cyclopropylmethyl)-4-(2-phenoxyphenyl)piperidin-4-yl]ethanone; oxalic acid Traditional Name: 1-[1-(cyclopropylmethyl)-4-(2-phenoxyphenyl)-4-piperidyl]ethanone; oxalic acid Formula: C25H29NO6 MolecularWeight: 439.50086

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(CCN(CC1)CC2CC2)C3=CC=CC=C3OC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CC(=O)C1(CCN(CC1)CC2CC2)C3=CC=CC=C3OC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H27NO2.C2H2O4/c1-18(25)23(13-15-24(16-14-23)17-19-11-12-19)21-9-5-6-10-22(21)26-20-7-3-2-4-8-20;3-1(4)2(5)6/h2-10,19H,11-17H2,1H3;(H,3,4)(H,5,6)