O4-cyclohexyl O1-[(4-methoxyphenyl)methyl] (2S)-2-benzamidobutanedioate

Systemtic Name: O4-cyclohexyl O1-[(4-methoxyphenyl)methyl] (2S)-2-benzamidobutanedioate Openeye Name: O4-cyclohexyl O1-[(4-methoxyphenyl)methyl] (2S)-2-benzamidobutanedioate CAS Name: (2S)-2-benzamidobutanedioic acid O4-cyclohexyl ester O1-[(4-methoxyphenyl)methyl] ester IUPAC Name: 4-O-cyclohexyl 1-O-[(4-methoxyphenyl)methyl] (2S)-2-benzamidobutanedioate Traditional Name: (2S)-2-benzamidosuccinic acid O4-cyclohexyl ester O1-p-anisyl ester Formula: C25H29NO6 MolecularWeight: 439.50086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COC(=O)C(CC(=O)OC2CCCCC2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)COC(=O)[C@H](CC(=O)OC2CCCCC2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H29NO6/c1-30-20-14-12-18(13-15-20)17-31-25(29)22(26-24(28)19-8-4-2-5-9-19)16-23(27)32-21-10-6-3-7-11-21/h2,4-5,8-9,12-15,21-22H,3,6-7,10-11,16-17H2,1H3,(H,26,28)/t22-/m0/s1