2-[[3-chloranyl-4-(4-dimethylaminophenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid

Systemtic Name: 2-[[3-chloranyl-4-(4-dimethylaminophenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid Openeye Name: 2-[[3-chloro-4-(4-dimethylaminophenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid CAS Name: 2-[[3-chloro-4-(4-dimethylaminophenyl)anilino]-oxomethyl]-1-cyclopentenecarboxylic acid IUPAC Name: 2-[[3-chloro-4-(4-dimethylaminophenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid Traditional Name: 2-[[3-chloro-4-(4-dimethylaminophenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid Formula: C21H21ClN2O3 MolecularWeight: 384.85604

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2=C(C=C(C=C2)NC(=O)C3=C(CCC3)C(=O)O)Cl

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2=C(C=C(C=C2)NC(=O)C3=C(CCC3)C(=O)O)Cl

InChI

InChI=1S/C21H21ClN2O3/c1-24(2)15-9-6-13(7-10-15)16-11-8-14(12-19(16)22)23-20(25)17-4-3-5-18(17)21(26)27/h6-12H,3-5H2,1-2H3,(H,23,25)(H,26,27)