dimethyl (2S)-2-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoylamino]pentanedioate

Systemtic Name: dimethyl (2S)-2-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoylamino]pentanedioate Openeye Name: dimethyl (2S)-2-[[4-(4-methoxyphenyl)tetrahydropyran-4-yl]methylcarbamoylamino]pentanedioate CAS Name: (2S)-2-[[[[4-(4-methoxyphenyl)-4-oxanyl]methylamino]-oxomethyl]amino]pentanedioic acid dimethyl ester IUPAC Name: dimethyl (2S)-2-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoylamino]pentanedioate Traditional Name: (2S)-2-[[4-(4-methoxyphenyl)tetrahydropyran-4-yl]methylcarbamoylamino]glutaric acid dimethyl ester Formula: C21H30N2O7 MolecularWeight: 422.4721

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2(CCOCC2)CNC(=O)NC(CCC(=O)OC)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2(CCOCC2)CNC(=O)N[C@@H](CCC(=O)OC)C(=O)OC

InChI

InChI=1S/C21H30N2O7/c1-27-16-6-4-15(5-7-16)21(10-12-30-13-11-21)14-22-20(26)23-17(19(25)29-3)8-9-18(24)28-2/h4-7,17H,8-14H2,1-3H3,(H2,22,23,26)/t17-/m0/s1