(phenylmethyl) (2S)-2-[(3R)-1-(1,3-dioxolan-2-yl)hexan-3-yl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[(3R)-1-(1,3-dioxolan-2-yl)hexan-3-yl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[(1R)-1-[2-(1,3-dioxolan-2-yl)ethyl]butyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[(3R)-1-(1,3-dioxolan-2-yl)hexan-3-yl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[(3R)-1-(1,3-dioxolan-2-yl)hexan-3-yl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[(1R)-1-[2-(1,3-dioxolan-2-yl)ethyl]butyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C21H31NO4 MolecularWeight: 361.47514

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC1OCCO1)C2CCCN2C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCC[C@H](CCC1OCCO1)[C@@H]2CCCN2C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H31NO4/c1-2-7-18(11-12-20-24-14-15-25-20)19-10-6-13-22(19)21(23)26-16-17-8-4-3-5-9-17/h3-5,8-9,18-20H,2,6-7,10-16H2,1H3/t18-,19+/m1/s1