(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-(1H-indol-3-yl)butanoate

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-(1H-indol-3-yl)butanoate Openeye Name: (7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-(1H-indol-3-yl)butanoate CAS Name: 4-(1H-indol-3-yl)butanoic acid (7-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(1H-indol-3-yl)butanoate Traditional Name: 4-(1H-indol-3-yl)butyric acid (4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)COC(=O)CCCC3=CNC4=CC=CC=C43)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)COC(=O)CCCC3=CNC4=CC=CC=C43)C=C1

InChI

InChI=1S/C22H21N3O3/c1-15-9-10-20-24-17(11-21(26)25(20)13-15)14-28-22(27)8-4-5-16-12-23-19-7-3-2-6-18(16)19/h2-3,6-7,9-13,23H,4-5,8,14H2,1H3