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

Systemtic Name: methyl 2-azanyl-4-[5-(azepan-1-ylmethyl)-2,4-dimethyl-phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carboxylate Openeye Name: methyl 2-amino-4-[5-(azepan-1-ylmethyl)-2,4-dimethyl-phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate CAS Name: 2-amino-4-[5-(1-azepanylmethyl)-2,4-dimethylphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl 2-amino-4-[5-(azepan-1-ylmethyl)-2,4-dimethylphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate Traditional Name: 2-amino-4-[5-(azepan-1-ylmethyl)-2,4-dimethyl-phenyl]-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carboxylic acid methyl ester Formula: C28H38N2O4 MolecularWeight: 466.61232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2C3=C(CC(CC3=O)(C)C)OC(=C2C(=O)OC)N)CN4CCCCCC4)C

Isomeric SMILES

CC1=CC(=C(C=C1C2C3=C(CC(CC3=O)(C)C)OC(=C2C(=O)OC)N)CN4CCCCCC4)C

InChI

InChI=1S/C28H38N2O4/c1-17-12-18(2)20(13-19(17)16-30-10-8-6-7-9-11-30)23-24-21(31)14-28(3,4)15-22(24)34-26(29)25(23)27(32)33-5/h12-13,23H,6-11,14-16,29H2,1-5H3