O4-cyclohexyl O1-[(4-methoxyphenyl)methyl] (2S)-2-[(phenylmethyl)amino]butanedioate

Systemtic Name: O4-cyclohexyl O1-[(4-methoxyphenyl)methyl] (2S)-2-[(phenylmethyl)amino]butanedioate Openeye Name: O4-cyclohexyl O1-[(4-methoxyphenyl)methyl] (2S)-2-(benzylamino)butanedioate CAS Name: (2S)-2-[(phenylmethyl)amino]butanedioic acid O4-cyclohexyl ester O1-[(4-methoxyphenyl)methyl] ester IUPAC Name: 4-O-cyclohexyl 1-O-[(4-methoxyphenyl)methyl] (2S)-2-(benzylamino)butanedioate Traditional Name: (2S)-2-(benzylamino)succinic acid O4-cyclohexyl ester O1-p-anisyl ester Formula: C25H31NO5 MolecularWeight: 425.51734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COC(=O)C(CC(=O)OC2CCCCC2)NCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)COC(=O)[C@H](CC(=O)OC2CCCCC2)NCC3=CC=CC=C3

InChI

InChI=1S/C25H31NO5/c1-29-21-14-12-20(13-15-21)18-30-25(28)23(26-17-19-8-4-2-5-9-19)16-24(27)31-22-10-6-3-7-11-22/h2,4-5,8-9,12-15,22-23,26H,3,6-7,10-11,16-18H2,1H3/t23-/m0/s1