(phenylmethyl) (2R)-2-[(2R)-2-(4,4-diethoxybutylamino)heptyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2R)-2-[(2R)-2-(4,4-diethoxybutylamino)heptyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2R)-2-[(2R)-2-(4,4-diethoxybutylamino)heptyl]pyrrolidine-1-carboxylate CAS Name: (2R)-2-[(2R)-2-(4,4-diethoxybutylamino)heptyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2R)-2-[(2R)-2-(4,4-diethoxybutylamino)heptyl]pyrrolidine-1-carboxylate Traditional Name: (2R)-2-[(2R)-2-(4,4-diethoxybutylamino)heptyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C27H46N2O4 MolecularWeight: 462.66514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC1CCCN1C(=O)OCC2=CC=CC=C2)NCCCC(OCC)OCC

Isomeric SMILES

CCCCC[C@H](C[C@H]1CCCN1C(=O)OCC2=CC=CC=C2)NCCCC(OCC)OCC

InChI

InChI=1S/C27H46N2O4/c1-4-7-9-16-24(28-19-12-18-26(31-5-2)32-6-3)21-25-17-13-20-29(25)27(30)33-22-23-14-10-8-11-15-23/h8,10-11,14-15,24-26,28H,4-7,9,12-13,16-22H2,1-3H3/t24-,25-/m1/s1