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

Systemtic Name: ethyl 3-(2-chloranylpropanoylamino)-4-(4-methoxyphenyl)-1-(phenylmethyl)pyrrole-2-carboxylate Openeye Name: ethyl 1-benzyl-3-(2-chloropropanoylamino)-4-(4-methoxyphenyl)pyrrole-2-carboxylate CAS Name: 3-[(2-chloro-1-oxopropyl)amino]-4-(4-methoxyphenyl)-1-(phenylmethyl)-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-3-(2-chloropropanoylamino)-4-(4-methoxyphenyl)pyrrole-2-carboxylate Traditional Name: 1-benzyl-3-(2-chloropropanoylamino)-4-(4-methoxyphenyl)pyrrole-2-carboxylic acid ethyl ester Formula: C24H25ClN2O4 MolecularWeight: 440.9193

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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)NC(=O)C(C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H25ClN2O4/c1-4-31-24(29)22-21(26-23(28)16(2)25)20(18-10-12-19(30-3)13-11-18)15-27(22)14-17-8-6-5-7-9-17/h5-13,15-16H,4,14H2,1-3H3,(H,26,28)