methyl 2-[(9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-6-yl)carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[(9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-6-yl)carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carbonyl)amino]-3-phenyl-propanoate CAS Name: 2-[[oxo-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-6-yl)methyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carbonyl)amino]-3-phenylpropanoate Traditional Name: 2-[(9-keto-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carbonyl)amino]-3-phenyl-propionic acid methyl ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3

InChI

InChI=1S/C22H21N3O4/c1-29-22(28)18(12-14-6-3-2-4-7-14)24-20(26)15-9-10-16-17(13-15)23-19-8-5-11-25(19)21(16)27/h2-4,6-7,9-10,13,18H,5,8,11-12H2,1H3,(H,24,26)