O4-cyclopentyl O1-[(4-methoxyphenyl)methyl] (2S)-2-(pentanoylamino)butanedioate

Systemtic Name: O4-cyclopentyl O1-[(4-methoxyphenyl)methyl] (2S)-2-(pentanoylamino)butanedioate Openeye Name: O4-cyclopentyl O1-[(4-methoxyphenyl)methyl] (2S)-2-(pentanoylamino)butanedioate CAS Name: (2S)-2-(1-oxopentylamino)butanedioic acid O4-cyclopentyl ester O1-[(4-methoxyphenyl)methyl] ester IUPAC Name: 4-O-cyclopentyl 1-O-[(4-methoxyphenyl)methyl] (2S)-2-(pentanoylamino)butanedioate Traditional Name: (2S)-2-(valerylamino)succinic acid O4-cyclopentyl ester O1-p-anisyl ester Formula: C22H31NO6 MolecularWeight: 405.48464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(CC(=O)OC1CCCC1)C(=O)OCC2=CC=C(C=C2)OC

Isomeric SMILES

CCCCC(=O)N[C@@H](CC(=O)OC1CCCC1)C(=O)OCC2=CC=C(C=C2)OC

InChI

InChI=1S/C22H31NO6/c1-3-4-9-20(24)23-19(14-21(25)29-18-7-5-6-8-18)22(26)28-15-16-10-12-17(27-2)13-11-16/h10-13,18-19H,3-9,14-15H2,1-2H3,(H,23,24)/t19-/m0/s1