methyl 3-(3-cyano-1H-indol-5-yl)-2-[[4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-(3-cyano-1H-indol-5-yl)-2-[[4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]carbonylamino]propanoate Openeye Name: methyl 3-(3-cyano-1H-indol-5-yl)-2-[[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]propanoate CAS Name: 3-(3-cyano-1H-indol-5-yl)-2-[[oxo-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)-1-piperidinyl]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(3-cyano-1H-indol-5-yl)-2-[[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]propanoate Traditional Name: 3-(3-cyano-1H-indol-5-yl)-2-[[4-(2-keto-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]propionic acid methyl ester Formula: C27H28N6O4 MolecularWeight: 500.54902

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC2=C(C=C1)NC=C2C#N)NC(=O)N3CCC(CC3)N4CC5=CC=CC=C5NC4=O

Isomeric SMILES

COC(=O)C(CC1=CC2=C(C=C1)NC=C2C#N)NC(=O)N3CCC(CC3)N4CC5=CC=CC=C5NC4=O

InChI

InChI=1S/C27H28N6O4/c1-37-25(34)24(13-17-6-7-23-21(12-17)19(14-28)15-29-23)31-26(35)32-10-8-20(9-11-32)33-16-18-4-2-3-5-22(18)30-27(33)36/h2-7,12,15,20,24,29H,8-11,13,16H2,1H3,(H,30,36)(H,31,35)