2-[[4-(3-ethoxyphenyl)-2-methoxy-phenyl]carbamoyl]cyclopentene-1-carboxylic acid

Systemtic Name: 2-[[4-(3-ethoxyphenyl)-2-methoxy-phenyl]carbamoyl]cyclopentene-1-carboxylic acid Openeye Name: 2-[[4-(3-ethoxyphenyl)-2-methoxy-phenyl]carbamoyl]cyclopentene-1-carboxylic acid CAS Name: 2-[[4-(3-ethoxyphenyl)-2-methoxyanilino]-oxomethyl]-1-cyclopentenecarboxylic acid IUPAC Name: 2-[[4-(3-ethoxyphenyl)-2-methoxyphenyl]carbamoyl]cyclopentene-1-carboxylic acid Traditional Name: 2-[(2-methoxy-4-m-phenetyl-phenyl)carbamoyl]cyclopentene-1-carboxylic acid Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2=CC(=C(C=C2)NC(=O)C3=C(CCC3)C(=O)O)OC

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=CC(=C(C=C2)NC(=O)C3=C(CCC3)C(=O)O)OC

InChI

InChI=1S/C22H23NO5/c1-3-28-16-7-4-6-14(12-16)15-10-11-19(20(13-15)27-2)23-21(24)17-8-5-9-18(17)22(25)26/h4,6-7,10-13H,3,5,8-9H2,1-2H3,(H,23,24)(H,25,26)