methyl 2-[2-[4-[(7-methyl-2-oxidanylidene-chromen-4-yl)methyl]piperazin-1-yl]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[4-[(7-methyl-2-oxidanylidene-chromen-4-yl)methyl]piperazin-1-yl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[4-[(7-methyl-2-oxo-chromen-4-yl)methyl]piperazin-1-yl]acetyl]amino]benzoate CAS Name: 2-[[2-[4-[(7-methyl-2-oxo-1-benzopyran-4-yl)methyl]-1-piperazinyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[4-[(7-methyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]acetyl]amino]benzoate Traditional Name: 2-[[2-[4-[(2-keto-7-methyl-chromen-4-yl)methyl]piperazino]acetyl]amino]benzoic acid methyl ester Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)CC(=O)NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)CC(=O)NC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C25H27N3O5/c1-17-7-8-19-18(14-24(30)33-22(19)13-17)15-27-9-11-28(12-10-27)16-23(29)26-21-6-4-3-5-20(21)25(31)32-2/h3-8,13-14H,9-12,15-16H2,1-2H3,(H,26,29)