methyl 4-(4-methylpiperazin-1-yl)-3-[[3-(2-oxidanylidenechromen-3-yl)phenyl]carbonylamino]benzoate

Systemtic Name: methyl 4-(4-methylpiperazin-1-yl)-3-[[3-(2-oxidanylidenechromen-3-yl)phenyl]carbonylamino]benzoate Openeye Name: methyl 4-(4-methylpiperazin-1-yl)-3-[[3-(2-oxochromen-3-yl)benzoyl]amino]benzoate CAS Name: 4-(4-methyl-1-piperazinyl)-3-[[oxo-[3-(2-oxo-1-benzopyran-3-yl)phenyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-methylpiperazin-1-yl)-3-[[3-(2-oxochromen-3-yl)benzoyl]amino]benzoate Traditional Name: 3-[[3-(2-ketochromen-3-yl)benzoyl]amino]-4-(4-methylpiperazino)benzoic acid methyl ester Formula: C29H27N3O5 MolecularWeight: 497.54178

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC=CC(=C3)C4=CC5=CC=CC=C5OC4=O

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC=CC(=C3)C4=CC5=CC=CC=C5OC4=O

InChI

InChI=1S/C29H27N3O5/c1-31-12-14-32(15-13-31)25-11-10-22(28(34)36-2)18-24(25)30-27(33)21-8-5-7-19(16-21)23-17-20-6-3-4-9-26(20)37-29(23)35/h3-11,16-18H,12-15H2,1-2H3,(H,30,33)