ethyl 5-chloranyl-2-methoxy-4-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoylamino]benzoate

Systemtic Name: ethyl 5-chloranyl-2-methoxy-4-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoylamino]benzoate Openeye Name: ethyl 5-chloro-4-[[1-(3-isopropenylphenyl)-1-methyl-ethyl]carbamoylamino]-2-methoxy-benzoate CAS Name: 5-chloro-2-methoxy-4-[[[2-[3-(1-methylethenyl)phenyl]propan-2-ylamino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 5-chloro-2-methoxy-4-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoylamino]benzoate Traditional Name: 5-chloro-4-[[1-(3-isopropenylphenyl)-1-methyl-ethyl]carbamoylamino]-2-methoxy-benzoic acid ethyl ester Formula: C23H27ClN2O4 MolecularWeight: 430.92448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1OC)NC(=O)NC(C)(C)C2=CC=CC(=C2)C(=C)C)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1OC)NC(=O)NC(C)(C)C2=CC=CC(=C2)C(=C)C)Cl

InChI

InChI=1S/C23H27ClN2O4/c1-7-30-21(27)17-12-18(24)19(13-20(17)29-6)25-22(28)26-23(4,5)16-10-8-9-15(11-16)14(2)3/h8-13H,2,7H2,1,3-6H3,(H2,25,26,28)