[2-[bis[(2R)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoate

Systemtic Name: [2-[bis[(2R)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoate Openeye Name: [2-[bis[(1R)-1-methylpropyl]amino]-2-oxo-ethyl] 3-(4-oxo-1H-quinazolin-2-yl)propanoate CAS Name: 3-(4-oxo-1H-quinazolin-2-yl)propanoic acid [2-[bis[(2R)-butan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[bis[(2R)-butan-2-yl]amino]-2-oxoethyl] 3-(4-oxo-1H-quinazolin-2-yl)propanoate Traditional Name: 3-(4-keto-1H-quinazolin-2-yl)propionic acid [2-[bis[(1R)-1-methylpropyl]amino]-2-keto-ethyl] ester Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(C(C)CC)C(=O)COC(=O)CCC1=NC(=O)C2=CC=CC=C2N1

Isomeric SMILES

CC[C@@H](C)N([C@H](C)CC)C(=O)COC(=O)CCC1=NC(=O)C2=CC=CC=C2N1

InChI

InChI=1S/C21H29N3O4/c1-5-14(3)24(15(4)6-2)19(25)13-28-20(26)12-11-18-22-17-10-8-7-9-16(17)21(27)23-18/h7-10,14-15H,5-6,11-13H2,1-4H3,(H,22,23,27)/t14-,15-/m1/s1