methyl 3-[4-aminocarbonyl-3-(4-tert-butylphenyl)-1-(cyclohexylmethyl)-5-methyl-pyrrol-2-yl]propanoate

Systemtic Name: methyl 3-[4-aminocarbonyl-3-(4-tert-butylphenyl)-1-(cyclohexylmethyl)-5-methyl-pyrrol-2-yl]propanoate Openeye Name: methyl 3-[3-(4-tert-butylphenyl)-4-carbamoyl-1-(cyclohexylmethyl)-5-methyl-pyrrol-2-yl]propanoate CAS Name: 3-[3-(4-tert-butylphenyl)-4-carbamoyl-1-(cyclohexylmethyl)-5-methyl-2-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3-(4-tert-butylphenyl)-4-carbamoyl-1-(cyclohexylmethyl)-5-methylpyrrol-2-yl]propanoate Traditional Name: 3-[3-(4-tert-butylphenyl)-4-carbamoyl-1-(cyclohexylmethyl)-5-methyl-pyrrol-2-yl]propionic acid methyl ester Formula: C27H38N2O3 MolecularWeight: 438.60222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2CCCCC2)CCC(=O)OC)C3=CC=C(C=C3)C(C)(C)C)C(=O)N

Isomeric SMILES

CC1=C(C(=C(N1CC2CCCCC2)CCC(=O)OC)C3=CC=C(C=C3)C(C)(C)C)C(=O)N

InChI

InChI=1S/C27H38N2O3/c1-18-24(26(28)31)25(20-11-13-21(14-12-20)27(2,3)4)22(15-16-23(30)32-5)29(18)17-19-9-7-6-8-10-19/h11-14,19H,6-10,15-17H2,1-5H3,(H2,28,31)