[2-[[4-(4-ethylpiperazin-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 3-methoxy-4-(3-methylbutoxy)benzoate

Systemtic Name: [2-[[4-(4-ethylpiperazin-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 3-methoxy-4-(3-methylbutoxy)benzoate Openeye Name: [2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxo-ethyl] 4-isopentyloxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-(3-methylbutoxy)benzoic acid [2-[4-(4-ethyl-1-piperazinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 3-methoxy-4-(3-methylbutoxy)benzoate Traditional Name: 4-isoamoxy-3-methoxy-benzoic acid [2-[4-(4-ethylpiperazino)anilino]-2-keto-ethyl] ester Formula: C27H37N3O5 MolecularWeight: 483.59978

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC(=C(C=C3)OCCC(C)C)OC

Isomeric SMILES

CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC(=C(C=C3)OCCC(C)C)OC

InChI

InChI=1S/C27H37N3O5/c1-5-29-13-15-30(16-14-29)23-9-7-22(8-10-23)28-26(31)19-35-27(32)21-6-11-24(25(18-21)33-4)34-17-12-20(2)3/h6-11,18,20H,5,12-17,19H2,1-4H3,(H,28,31)