dimethyl (2S)-2-[(3-methoxydibenzofuran-2-yl)carbamoylamino]pentanedioate

Systemtic Name: dimethyl (2S)-2-[(3-methoxydibenzofuran-2-yl)carbamoylamino]pentanedioate Openeye Name: dimethyl (2S)-2-[(3-methoxydibenzofuran-2-yl)carbamoylamino]pentanedioate CAS Name: (2S)-2-[[[(3-methoxy-2-dibenzofuranyl)amino]-oxomethyl]amino]pentanedioic acid dimethyl ester IUPAC Name: dimethyl (2S)-2-[(3-methoxydibenzofuran-2-yl)carbamoylamino]pentanedioate Traditional Name: (2S)-2-[(3-methoxydibenzofuran-2-yl)carbamoylamino]glutaric acid dimethyl ester Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C3=CC=CC=C3OC2=C1)NC(=O)NC(CCC(=O)OC)C(=O)OC

Isomeric SMILES

COC1=C(C=C2C3=CC=CC=C3OC2=C1)NC(=O)N[C@@H](CCC(=O)OC)C(=O)OC

InChI

InChI=1S/C21H22N2O7/c1-27-18-11-17-13(12-6-4-5-7-16(12)30-17)10-15(18)23-21(26)22-14(20(25)29-3)8-9-19(24)28-2/h4-7,10-11,14H,8-9H2,1-3H3,(H2,22,23,26)/t14-/m0/s1