methyl 2-azanyl-4-[3-[(4-ethylpiperazin-1-yl)methyl]-2,5-dimethyl-phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carboxylate

Systemtic Name: methyl 2-azanyl-4-[3-[(4-ethylpiperazin-1-yl)methyl]-2,5-dimethyl-phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carboxylate Openeye Name: methyl 2-amino-4-[3-[(4-ethylpiperazin-1-yl)methyl]-2,5-dimethyl-phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate CAS Name: 2-amino-4-[3-[(4-ethyl-1-piperazinyl)methyl]-2,5-dimethylphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl 2-amino-4-[3-[(4-ethylpiperazin-1-yl)methyl]-2,5-dimethylphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate Traditional Name: 2-amino-4-[3-[(4-ethylpiperazino)methyl]-2,5-dimethyl-phenyl]-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carboxylic acid methyl ester Formula: C28H39N3O4 MolecularWeight: 481.62696

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=C(C(=CC(=C2)C)C3C4=C(CC(CC4=O)(C)C)OC(=C3C(=O)OC)N)C

Isomeric SMILES

CCN1CCN(CC1)CC2=C(C(=CC(=C2)C)C3C4=C(CC(CC4=O)(C)C)OC(=C3C(=O)OC)N)C

InChI

InChI=1S/C28H39N3O4/c1-7-30-8-10-31(11-9-30)16-19-12-17(2)13-20(18(19)3)23-24-21(32)14-28(4,5)15-22(24)35-26(29)25(23)27(33)34-6/h12-13,23H,7-11,14-16,29H2,1-6H3