(3R,6S)-3-methyl-2-[phenyl(pyrrolidin-1-yl)methyl]-6-propan-2-yl-cyclohexan-1-one

Systemtic Name: (3R,6S)-3-methyl-2-[phenyl(pyrrolidin-1-yl)methyl]-6-propan-2-yl-cyclohexan-1-one Openeye Name: (3R,6S)-6-isopropyl-3-methyl-2-[phenyl(pyrrolidin-1-yl)methyl]cyclohexanone CAS Name: (3R,6S)-3-methyl-2-[phenyl(1-pyrrolidinyl)methyl]-6-propan-2-yl-1-cyclohexanone IUPAC Name: (3R,6S)-3-methyl-2-[phenyl(pyrrolidin-1-yl)methyl]-6-propan-2-ylcyclohexan-1-one Traditional Name: (3R,6S)-6-isopropyl-3-methyl-2-[phenyl(pyrrolidino)methyl]cyclohexanone Formula: C21H31NO MolecularWeight: 313.47694

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(=O)C1C(C2=CC=CC=C2)N3CCCC3)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H](C(=O)C1C(C2=CC=CC=C2)N3CCCC3)C(C)C

InChI

InChI=1S/C21H31NO/c1-15(2)18-12-11-16(3)19(21(18)23)20(22-13-7-8-14-22)17-9-5-4-6-10-17/h4-6,9-10,15-16,18-20H,7-8,11-14H2,1-3H3/t16-,18+,19?,20?/m1/s1