O1-methyl O4-[2-oxidanylidene-2-(3-phenylpropylamino)ethyl] benzene-1,4-dicarboxylate

Systemtic Name: O1-methyl O4-[2-oxidanylidene-2-(3-phenylpropylamino)ethyl] benzene-1,4-dicarboxylate Openeye Name: O1-methyl O4-[2-oxo-2-(3-phenylpropylamino)ethyl] benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O1-methyl ester O4-[2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: 1-O-methyl 4-O-[2-oxo-2-(3-phenylpropylamino)ethyl] benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O4-[2-keto-2-(3-phenylpropylamino)ethyl] ester O1-methyl ester Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)OCC(=O)NCCCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)OCC(=O)NCCCC2=CC=CC=C2

InChI

InChI=1S/C20H21NO5/c1-25-19(23)16-9-11-17(12-10-16)20(24)26-14-18(22)21-13-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-12H,5,8,13-14H2,1H3,(H,21,22)