ethyl 1-[4-[[3-methylbutyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-[[3-methylbutyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[4-[[isopentyl-[(5-methyl-2-thienyl)methyl]amino]methyl]benzoyl]piperidine-4-carboxylate CAS Name: 1-[[4-[[3-methylbutyl-[(5-methyl-2-thiophenyl)methyl]amino]methyl]phenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[[3-methylbutyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[[isoamyl-[(5-methyl-2-thienyl)methyl]amino]methyl]benzoyl]isonipecotic acid ethyl ester Formula: C27H38N2O3S MolecularWeight: 470.66722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)CN(CCC(C)C)CC3=CC=C(S3)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)CN(CCC(C)C)CC3=CC=C(S3)C

InChI

InChI=1S/C27H38N2O3S/c1-5-32-27(31)24-13-16-29(17-14-24)26(30)23-9-7-22(8-10-23)18-28(15-12-20(2)3)19-25-11-6-21(4)33-25/h6-11,20,24H,5,12-19H2,1-4H3