ethyl 2-[(3S,4S)-1-[4-(diphenylmethyl)oxybutyl]-3-methyl-piperidin-4-yl]ethanoate

Systemtic Name: ethyl 2-[(3S,4S)-1-[4-(diphenylmethyl)oxybutyl]-3-methyl-piperidin-4-yl]ethanoate Openeye Name: ethyl 2-[(3S,4S)-1-(4-benzhydryloxybutyl)-3-methyl-4-piperidyl]acetate CAS Name: 2-[(3S,4S)-1-[4-(diphenylmethyl)oxybutyl]-3-methyl-4-piperidinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(3S,4S)-1-(4-benzhydryloxybutyl)-3-methylpiperidin-4-yl]acetate Traditional Name: 2-[(3S,4S)-1-(4-benzhydryloxybutyl)-3-methyl-4-piperidyl]acetic acid ethyl ester Formula: C27H37NO3 MolecularWeight: 423.58758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1CCN(CC1C)CCCCOC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C[C@@H]1CCN(C[C@H]1C)CCCCOC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C27H37NO3/c1-3-30-26(29)20-25-16-18-28(21-22(25)2)17-10-11-19-31-27(23-12-6-4-7-13-23)24-14-8-5-9-15-24/h4-9,12-15,22,25,27H,3,10-11,16-21H2,1-2H3/t22-,25+/m1/s1