methyl 4-(4-methylpiperazin-1-yl)-3-[(3-propoxyphenyl)carbonylamino]benzoate

Systemtic Name: methyl 4-(4-methylpiperazin-1-yl)-3-[(3-propoxyphenyl)carbonylamino]benzoate Openeye Name: methyl 4-(4-methylpiperazin-1-yl)-3-[(3-propoxybenzoyl)amino]benzoate CAS Name: 4-(4-methyl-1-piperazinyl)-3-[[oxo-(3-propoxyphenyl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-methylpiperazin-1-yl)-3-[(3-propoxybenzoyl)amino]benzoate Traditional Name: 4-(4-methylpiperazino)-3-[(3-propoxybenzoyl)amino]benzoic acid methyl ester Formula: C23H29N3O4 MolecularWeight: 411.49406

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)C

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)C

InChI

InChI=1S/C23H29N3O4/c1-4-14-30-19-7-5-6-17(15-19)22(27)24-20-16-18(23(28)29-3)8-9-21(20)26-12-10-25(2)11-13-26/h5-9,15-16H,4,10-14H2,1-3H3,(H,24,27)