ethyl 4-[[4-(3-methoxyphenyl)carbonyl-3-methyl-piperazin-1-yl]methyl]-2-oxidanylidene-6-(3-phenoxyphenyl)-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[[4-(3-methoxyphenyl)carbonyl-3-methyl-piperazin-1-yl]methyl]-2-oxidanylidene-6-(3-phenoxyphenyl)-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-4-[[4-(3-methoxybenzoyl)-3-methyl-piperazin-1-yl]methyl]-2-oxo-6-(3-phenoxyphenyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[[4-[(3-methoxyphenyl)-oxomethyl]-3-methyl-1-piperazinyl]methyl]-2-oxo-6-(3-phenoxyphenyl)-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(3-methoxybenzoyl)-3-methylpiperazin-1-yl]methyl]-2-oxo-6-(3-phenoxyphenyl)-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-2-keto-4-[(4-m-anisoyl-3-methyl-piperazino)methyl]-6-(3-phenoxyphenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C36H40N4O6 MolecularWeight: 624.726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)OC3=CC=CC=C3)CC=C)CN4CCN(C(C4)C)C(=O)C5=CC(=CC=C5)OC

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)OC3=CC=CC=C3)CC=C)CN4CCN(C(C4)C)C(=O)C5=CC(=CC=C5)OC

InChI

InChI=1S/C36H40N4O6/c1-5-18-40-31(24-38-19-20-39(25(3)23-38)34(41)27-13-11-16-29(22-27)44-4)32(35(42)45-6-2)33(37-36(40)43)26-12-10-17-30(21-26)46-28-14-8-7-9-15-28/h5,7-17,21-22,25,33H,1,6,18-20,23-24H2,2-4H3,(H,37,43)