methyl (3R,4S)-3-methyl-1-(phenylmethyl)-4-[phenyl(propanoyl)amino]piperidine-4-carboxylate

Systemtic Name: methyl (3R,4S)-3-methyl-1-(phenylmethyl)-4-[phenyl(propanoyl)amino]piperidine-4-carboxylate Openeye Name: methyl (3R,4S)-1-benzyl-3-methyl-4-(N-propanoylanilino)piperidine-4-carboxylate CAS Name: (3R,4S)-3-methyl-4-[N-(1-oxopropyl)anilino]-1-(phenylmethyl)-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl (3R,4S)-1-benzyl-3-methyl-4-(N-propanoylanilino)piperidine-4-carboxylate Traditional Name: (3R,4S)-1-benzyl-3-methyl-4-(N-propionylanilino)isonipecotic acid methyl ester Formula: C24H30N2O3 MolecularWeight: 394.5066

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2C)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCC(=O)N(C1=CC=CC=C1)[C@]2(CCN(C[C@H]2C)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C24H30N2O3/c1-4-22(27)26(21-13-9-6-10-14-21)24(23(28)29-3)15-16-25(17-19(24)2)18-20-11-7-5-8-12-20/h5-14,19H,4,15-18H2,1-3H3/t19-,24+/m1/s1