3-chloranyl-4-propoxy-benzoic acid; 2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-N-methyl-ethanamide

Systemtic Name: 3-chloranyl-4-propoxy-benzoic acid; 2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-N-methyl-ethanamide Openeye Name: 3-chloro-4-propoxy-benzoic acid; 2-[3-methoxy-4-(o-tolylcarbamoylamino)phenyl]-N-methyl-acetamide CAS Name: 3-chloro-4-propoxybenzoic acid; 2-[3-methoxy-4-[[(2-methylanilino)-oxomethyl]amino]phenyl]-N-methylacetamide IUPAC Name: 3-chloro-4-propoxybenzoic acid; 2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-N-methylacetamide Traditional Name: 3-chloro-4-propoxy-benzoic acid; 2-[3-methoxy-4-(o-tolylcarbamoylamino)phenyl]-N-methyl-acetamide Formula: C28H32ClN3O6 MolecularWeight: 542.02318

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)O)Cl.CC1=CC=CC=C1NC(=O)NC2=C(C=C(C=C2)CC(=O)NC)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)O)Cl.CC1=CC=CC=C1NC(=O)NC2=C(C=C(C=C2)CC(=O)NC)OC

InChI

InChI=1S/C18H21N3O3.C10H11ClO3/c1-12-6-4-5-7-14(12)20-18(23)21-15-9-8-13(10-16(15)24-3)11-17(22)19-2;1-2-5-14-9-4-3-7(10(12)13)6-8(9)11/h4-10H,11H2,1-3H3,(H,19,22)(H2,20,21,23);3-4,6H,2,5H2,1H3,(H,12,13)