methyl 4-(4-aminocarbonyl-1-cyclopropyl-5-methyl-2-pentyl-pyrrol-3-yl)benzoate

Systemtic Name: methyl 4-(4-aminocarbonyl-1-cyclopropyl-5-methyl-2-pentyl-pyrrol-3-yl)benzoate Openeye Name: methyl 4-(4-carbamoyl-1-cyclopropyl-5-methyl-2-pentyl-pyrrol-3-yl)benzoate CAS Name: 4-(4-carbamoyl-1-cyclopropyl-5-methyl-2-pentyl-3-pyrrolyl)benzoic acid methyl ester IUPAC Name: methyl 4-(4-carbamoyl-1-cyclopropyl-5-methyl-2-pentylpyrrol-3-yl)benzoate Traditional Name: 4-(2-amyl-4-carbamoyl-1-cyclopropyl-5-methyl-pyrrol-3-yl)benzoic acid methyl ester Formula: C22H28N2O3 MolecularWeight: 368.46932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(N1C2CC2)C)C(=O)N)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCCC1=C(C(=C(N1C2CC2)C)C(=O)N)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H28N2O3/c1-4-5-6-7-18-20(15-8-10-16(11-9-15)22(26)27-3)19(21(23)25)14(2)24(18)17-12-13-17/h8-11,17H,4-7,12-13H2,1-3H3,(H2,23,25)