ethyl 3-(2-chloranylpropanoylamino)-4-(3,4-dimethoxyphenyl)-1-(phenylmethyl)pyrrole-2-carboxylate

Systemtic Name: ethyl 3-(2-chloranylpropanoylamino)-4-(3,4-dimethoxyphenyl)-1-(phenylmethyl)pyrrole-2-carboxylate Openeye Name: ethyl 1-benzyl-3-(2-chloropropanoylamino)-4-(3,4-dimethoxyphenyl)pyrrole-2-carboxylate CAS Name: 3-[(2-chloro-1-oxopropyl)amino]-4-(3,4-dimethoxyphenyl)-1-(phenylmethyl)-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-3-(2-chloropropanoylamino)-4-(3,4-dimethoxyphenyl)pyrrole-2-carboxylate Traditional Name: 1-benzyl-3-(2-chloropropanoylamino)-4-(3,4-dimethoxyphenyl)pyrrole-2-carboxylic acid ethyl ester Formula: C25H27ClN2O5 MolecularWeight: 470.94528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CN1CC2=CC=CC=C2)C3=CC(=C(C=C3)OC)OC)NC(=O)C(C)Cl

Isomeric SMILES

CCOC(=O)C1=C(C(=CN1CC2=CC=CC=C2)C3=CC(=C(C=C3)OC)OC)NC(=O)C(C)Cl

InChI

InChI=1S/C25H27ClN2O5/c1-5-33-25(30)23-22(27-24(29)16(2)26)19(15-28(23)14-17-9-7-6-8-10-17)18-11-12-20(31-3)21(13-18)32-4/h6-13,15-16H,5,14H2,1-4H3,(H,27,29)