ethyl (4S)-4-[3-methoxy-4-[2-oxidanylidene-2-(phenethylamino)ethoxy]phenyl]-2-oxidanylidene-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-[3-methoxy-4-[2-oxidanylidene-2-(phenethylamino)ethoxy]phenyl]-2-oxidanylidene-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-[3-methoxy-4-[2-oxo-2-(phenethylamino)ethoxy]phenyl]-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-[3-methoxy-4-[2-oxo-2-(phenethylamino)ethoxy]phenyl]-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-[3-methoxy-4-[2-oxo-2-(phenethylamino)ethoxy]phenyl]-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-2-keto-4-[4-[2-keto-2-(phenethylamino)ethoxy]-3-methoxy-phenyl]-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C27H33N3O6 MolecularWeight: 495.56742

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(NC(=O)N1)C2=CC(=C(C=C2)OCC(=O)NCCC3=CC=CC=C3)OC)C(=O)OCC

Isomeric SMILES

CCCC1=C([C@@H](NC(=O)N1)C2=CC(=C(C=C2)OCC(=O)NCCC3=CC=CC=C3)OC)C(=O)OCC

InChI

InChI=1S/C27H33N3O6/c1-4-9-20-24(26(32)35-5-2)25(30-27(33)29-20)19-12-13-21(22(16-19)34-3)36-17-23(31)28-15-14-18-10-7-6-8-11-18/h6-8,10-13,16,25H,4-5,9,14-15,17H2,1-3H3,(H,28,31)(H2,29,30,33)/t25-/m0/s1