propan-2-yl 3-[3-[(4-tert-butylphenyl)carbonyl-methyl-amino]propyl]-6-methyl-4-(3-nitrophenyl)-2-oxidanylidene-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: propan-2-yl 3-[3-[(4-tert-butylphenyl)carbonyl-methyl-amino]propyl]-6-methyl-4-(3-nitrophenyl)-2-oxidanylidene-1,4-dihydropyrimidine-5-carboxylate Openeye Name: isopropyl 3-[3-[(4-tert-butylbenzoyl)-methyl-amino]propyl]-6-methyl-4-(3-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylate CAS Name: 3-[3-[[(4-tert-butylphenyl)-oxomethyl]-methylamino]propyl]-6-methyl-4-(3-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[3-[(4-tert-butylbenzoyl)-methylamino]propyl]-6-methyl-4-(3-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 3-[3-[(4-tert-butylbenzoyl)-methyl-amino]propyl]-2-keto-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid isopropyl ester Formula: C30H38N4O6 MolecularWeight: 550.64592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=O)N1)CCCN(C)C(=O)C2=CC=C(C=C2)C(C)(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC(C)C

Isomeric SMILES

CC1=C(C(N(C(=O)N1)CCCN(C)C(=O)C2=CC=C(C=C2)C(C)(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC(C)C

InChI

InChI=1S/C30H38N4O6/c1-19(2)40-28(36)25-20(3)31-29(37)33(26(25)22-10-8-11-24(18-22)34(38)39)17-9-16-32(7)27(35)21-12-14-23(15-13-21)30(4,5)6/h8,10-15,18-19,26H,9,16-17H2,1-7H3,(H,31,37)