2-methoxy-4-[methyl-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexoxy]phenyl]carbamoyl]benzoic acid

Systemtic Name: 2-methoxy-4-[methyl-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexoxy]phenyl]carbamoyl]benzoic acid Openeye Name: 2-methoxy-4-[methyl-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxo-hexoxy]phenyl]carbamoyl]benzoic acid CAS Name: 4-[[N,4-dimethyl-2-[6-(4-methyl-1-piperazinyl)-6-oxohexoxy]anilino]-oxomethyl]-2-methoxybenzoic acid IUPAC Name: 2-methoxy-4-[methyl-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]carbamoyl]benzoic acid Traditional Name: 4-[[2-[6-keto-6-(4-methylpiperazino)hexoxy]-4-methyl-phenyl]-methyl-carbamoyl]-2-methoxy-benzoic acid Formula: C28H37N3O6 MolecularWeight: 511.60988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(C)C(=O)C2=CC(=C(C=C2)C(=O)O)OC)OCCCCCC(=O)N3CCN(CC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)N(C)C(=O)C2=CC(=C(C=C2)C(=O)O)OC)OCCCCCC(=O)N3CCN(CC3)C

InChI

InChI=1S/C28H37N3O6/c1-20-9-12-23(30(3)27(33)21-10-11-22(28(34)35)24(19-21)36-4)25(18-20)37-17-7-5-6-8-26(32)31-15-13-29(2)14-16-31/h9-12,18-19H,5-8,13-17H2,1-4H3,(H,34,35)