ethyl 1-[(R)-(2-benzamido-4,5-dimethyl-thiophen-3-yl)-phenyl-methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(R)-(2-benzamido-4,5-dimethyl-thiophen-3-yl)-phenyl-methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(R)-(2-benzamido-4,5-dimethyl-3-thienyl)-phenyl-methyl]piperidine-4-carboxylate CAS Name: 1-[(R)-(2-benzamido-4,5-dimethyl-3-thiophenyl)-phenylmethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(R)-(2-benzamido-4,5-dimethylthiophen-3-yl)-phenylmethyl]piperidine-4-carboxylate Traditional Name: 1-[(R)-(2-benzamido-4,5-dimethyl-3-thienyl)-phenyl-methyl]isonipecotic acid ethyl ester Formula: C28H32N2O3S MolecularWeight: 476.63028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(C2=CC=CC=C2)C3=C(SC(=C3C)C)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)[C@H](C2=CC=CC=C2)C3=C(SC(=C3C)C)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H32N2O3S/c1-4-33-28(32)23-15-17-30(18-16-23)25(21-11-7-5-8-12-21)24-19(2)20(3)34-27(24)29-26(31)22-13-9-6-10-14-22/h5-14,23,25H,4,15-18H2,1-3H3,(H,29,31)/t25-/m1/s1