methyl (3S,4S)-3-(cyclohexen-1-ylmethyl)-4-methyl-1-(phenylmethyl)pyrrolidine-3-carboxylate

Systemtic Name: methyl (3S,4S)-3-(cyclohexen-1-ylmethyl)-4-methyl-1-(phenylmethyl)pyrrolidine-3-carboxylate Openeye Name: methyl (3S,4S)-1-benzyl-3-(cyclohexen-1-ylmethyl)-4-methyl-pyrrolidine-3-carboxylate CAS Name: (3S,4S)-3-(1-cyclohexenylmethyl)-4-methyl-1-(phenylmethyl)-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (3S,4S)-1-benzyl-3-(cyclohexen-1-ylmethyl)-4-methylpyrrolidine-3-carboxylate Traditional Name: (3S,4S)-1-benzyl-3-(cyclohexen-1-ylmethyl)-4-methyl-pyrrolidine-3-carboxylic acid methyl ester Formula: C21H29NO2 MolecularWeight: 327.46046

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC1(CC2=CCCCC2)C(=O)OC)CC3=CC=CC=C3

Isomeric SMILES

C[C@@H]1CN(C[C@@]1(CC2=CCCCC2)C(=O)OC)CC3=CC=CC=C3

InChI

InChI=1S/C21H29NO2/c1-17-14-22(15-19-11-7-4-8-12-19)16-21(17,20(23)24-2)13-18-9-5-3-6-10-18/h4,7-9,11-12,17H,3,5-6,10,13-16H2,1-2H3/t17-,21-/m1/s1