propan-2-yl 2,4-dimethyl-5-[(3-methyl-2-phenylazanyl-butyl)carbamoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: propan-2-yl 2,4-dimethyl-5-[(3-methyl-2-phenylazanyl-butyl)carbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: isopropyl 5-[(2-anilino-3-methyl-butyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[(2-anilino-3-methylbutyl)amino]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-[(2-anilino-3-methylbutyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(2-anilino-3-methyl-butyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid isopropyl ester Formula: C22H31N3O3 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)NCC(C(C)C)NC2=CC=CC=C2

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)NCC(C(C)C)NC2=CC=CC=C2

InChI

InChI=1S/C22H31N3O3/c1-13(2)18(25-17-10-8-7-9-11-17)12-23-21(26)20-15(5)19(16(6)24-20)22(27)28-14(3)4/h7-11,13-14,18,24-25H,12H2,1-6H3,(H,23,26)