6-[[4-(4-azanyl-3-methoxy-phenyl)-2-methoxy-phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[[4-(4-azanyl-3-methoxy-phenyl)-2-methoxy-phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[[4-(4-amino-3-methoxy-phenyl)-2-methoxy-phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[4-(4-amino-3-methoxyphenyl)-2-methoxyanilino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[[4-(4-amino-3-methoxyphenyl)-2-methoxyphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[[4-(4-amino-3-methoxy-phenyl)-2-methoxy-phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=O)C3CC=CCC3C(=O)O)OC)N

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=O)C3CC=CCC3C(=O)O)OC)N

InChI

InChI=1S/C22H24N2O5/c1-28-19-11-13(7-9-17(19)23)14-8-10-18(20(12-14)29-2)24-21(25)15-5-3-4-6-16(15)22(26)27/h3-4,7-12,15-16H,5-6,23H2,1-2H3,(H,24,25)(H,26,27)