dimethyl 2-(1-hydroxyethyl)-4-methyl-3-[(phenylmethyl)amino]pentanedioate

Systemtic Name: dimethyl 2-(1-hydroxyethyl)-4-methyl-3-[(phenylmethyl)amino]pentanedioate Openeye Name: dimethyl 3-(benzylamino)-2-(1-hydroxyethyl)-4-methyl-pentanedioate CAS Name: 2-(1-hydroxyethyl)-4-methyl-3-[(phenylmethyl)amino]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 3-(benzylamino)-2-(1-hydroxyethyl)-4-methylpentanedioate Traditional Name: 3-(benzylamino)-2-(1-hydroxyethyl)-4-methyl-glutaric acid dimethyl ester Formula: C17H25NO5 MolecularWeight: 323.3841

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(C(C)O)C(=O)OC)NCC1=CC=CC=C1)C(=O)OC

Isomeric SMILES

CC(C(C(C(C)O)C(=O)OC)NCC1=CC=CC=C1)C(=O)OC

InChI

InChI=1S/C17H25NO5/c1-11(16(20)22-3)15(14(12(2)19)17(21)23-4)18-10-13-8-6-5-7-9-13/h5-9,11-12,14-15,18-19H,10H2,1-4H3