ethyl 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: ethyl 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: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C29H41N3O4 MolecularWeight: 495.65354

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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)OCC)N)C

Isomeric SMILES

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

InChI

InChI=1S/C29H41N3O4/c1-7-31-9-11-32(12-10-31)17-20-13-18(3)14-21(19(20)4)24-25-22(33)15-29(5,6)16-23(25)36-27(30)26(24)28(34)35-8-2/h13-14,24H,7-12,15-17,30H2,1-6H3