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

Systemtic Name: ethyl 4-[[4-(4-methoxyphenyl)carbonyl-3-methyl-piperazin-1-yl]methyl]-6-(3-methylphenyl)-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-4-[[4-(4-methoxybenzoyl)-3-methyl-piperazin-1-yl]methyl]-6-(m-tolyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[[4-[(4-methoxyphenyl)-oxomethyl]-3-methyl-1-piperazinyl]methyl]-6-(3-methylphenyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(4-methoxybenzoyl)-3-methylpiperazin-1-yl]methyl]-6-(3-methylphenyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-2-keto-4-[(3-methyl-4-p-anisoyl-piperazino)methyl]-6-(m-tolyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C31H38N4O5 MolecularWeight: 546.65722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)C)CC=C)CN3CCN(C(C3)C)C(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)C)CC=C)CN3CCN(C(C3)C)C(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C31H38N4O5/c1-6-15-35-26(27(30(37)40-7-2)28(32-31(35)38)24-10-8-9-21(3)18-24)20-33-16-17-34(22(4)19-33)29(36)23-11-13-25(39-5)14-12-23/h6,8-14,18,22,28H,1,7,15-17,19-20H2,2-5H3,(H,32,38)