[(3R,5S)-2,2,6,6-tetramethyl-5-[(3S)-3-[(phenylmethyl)amino]butanoyl]oxy-heptan-3-yl] benzoate

Systemtic Name: [(3R,5S)-2,2,6,6-tetramethyl-5-[(3S)-3-[(phenylmethyl)amino]butanoyl]oxy-heptan-3-yl] benzoate Openeye Name: [(1R,3S)-3-[(3S)-3-(benzylamino)butanoyl]oxy-1-tert-butyl-4,4-dimethyl-pentyl] benzoate CAS Name: benzoic acid [(3R,5S)-2,2,6,6-tetramethyl-5-[(3S)-1-oxo-3-[(phenylmethyl)amino]butoxy]heptan-3-yl] ester IUPAC Name: [(3R,5S)-5-[(3S)-3-(benzylamino)butanoyl]oxy-2,2,6,6-tetramethylheptan-3-yl] benzoate Traditional Name: benzoic acid [(1R,3S)-3-[(3S)-3-(benzylamino)butanoyl]oxy-1-tert-butyl-4,4-dimethyl-pentyl] ester Formula: C29H41NO4 MolecularWeight: 467.64014

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC(CC(C(C)(C)C)OC(=O)C1=CC=CC=C1)C(C)(C)C)NCC2=CC=CC=C2

Isomeric SMILES

C[C@@H](CC(=O)O[C@@H](C[C@H](C(C)(C)C)OC(=O)C1=CC=CC=C1)C(C)(C)C)NCC2=CC=CC=C2

InChI

InChI=1S/C29H41NO4/c1-21(30-20-22-14-10-8-11-15-22)18-26(31)33-24(28(2,3)4)19-25(29(5,6)7)34-27(32)23-16-12-9-13-17-23/h8-17,21,24-25,30H,18-20H2,1-7H3/t21-,24-,25+/m0/s1