ethyl 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: ethyl 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: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C29H40N2O4 MolecularWeight: 480.6389

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C(C1C3=CC(=C(C=C3C)C)CN4CCCCCC4)C(=O)CC(C2)(C)C)N

Isomeric SMILES

CCOC(=O)C1=C(OC2=C(C1C3=CC(=C(C=C3C)C)CN4CCCCCC4)C(=O)CC(C2)(C)C)N

InChI

InChI=1S/C29H40N2O4/c1-6-34-28(33)26-24(25-22(32)15-29(4,5)16-23(25)35-27(26)30)21-14-20(18(2)13-19(21)3)17-31-11-9-7-8-10-12-31/h13-14,24H,6-12,15-17,30H2,1-5H3