dimethyl 2-[[4-[3-(1-benzamidoethyl)phenyl]phenyl]methyl]propanedioate

Systemtic Name: dimethyl 2-[[4-[3-(1-benzamidoethyl)phenyl]phenyl]methyl]propanedioate Openeye Name: dimethyl 2-[[4-[3-(1-benzamidoethyl)phenyl]phenyl]methyl]propanedioate CAS Name: 2-[[4-[3-(1-benzamidoethyl)phenyl]phenyl]methyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[4-[3-(1-benzamidoethyl)phenyl]phenyl]methyl]propanedioate Traditional Name: 2-[4-[3-(1-benzamidoethyl)phenyl]benzyl]malonic acid dimethyl ester Formula: C27H27NO5 MolecularWeight: 445.50698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC(=C1)C2=CC=C(C=C2)CC(C(=O)OC)C(=O)OC)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C1=CC=CC(=C1)C2=CC=C(C=C2)CC(C(=O)OC)C(=O)OC)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H27NO5/c1-18(28-25(29)21-8-5-4-6-9-21)22-10-7-11-23(17-22)20-14-12-19(13-15-20)16-24(26(30)32-2)27(31)33-3/h4-15,17-18,24H,16H2,1-3H3,(H,28,29)