dimethyl 2-[(E)-3-[2-[[3-chloranyl-4-(2-methylphenyl)carbonyl-phenyl]amino]phenyl]prop-2-enyl]propanedioate

Systemtic Name: dimethyl 2-[(E)-3-[2-[[3-chloranyl-4-(2-methylphenyl)carbonyl-phenyl]amino]phenyl]prop-2-enyl]propanedioate Openeye Name: dimethyl 2-[(E)-3-[2-[3-chloro-4-(2-methylbenzoyl)anilino]phenyl]allyl]propanedioate CAS Name: 2-[(E)-3-[2-[3-chloro-4-[(2-methylphenyl)-oxomethyl]anilino]phenyl]prop-2-enyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(E)-3-[2-[3-chloro-4-(2-methylbenzoyl)anilino]phenyl]prop-2-enyl]propanedioate Traditional Name: 2-[(E)-3-[2-(3-chloro-4-o-toluoyl-anilino)phenyl]allyl]malonic acid dimethyl ester Formula: C28H26ClNO5 MolecularWeight: 491.96274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)C2=C(C=C(C=C2)NC3=CC=CC=C3C=CCC(C(=O)OC)C(=O)OC)Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)C2=C(C=C(C=C2)NC3=CC=CC=C3/C=C/CC(C(=O)OC)C(=O)OC)Cl

InChI

InChI=1S/C28H26ClNO5/c1-18-9-4-6-12-21(18)26(31)22-16-15-20(17-24(22)29)30-25-14-7-5-10-19(25)11-8-13-23(27(32)34-2)28(33)35-3/h4-12,14-17,23,30H,13H2,1-3H3/b11-8+