ethyl 2-azanyl-4-[3-(azepan-1-ylmethyl)-2,5-dimethyl-phenyl]-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carboxylate

Systemtic Name: ethyl 2-azanyl-4-[3-(azepan-1-ylmethyl)-2,5-dimethyl-phenyl]-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carboxylate Openeye Name: ethyl 2-amino-4-[3-(azepan-1-ylmethyl)-2,5-dimethyl-phenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate CAS Name: 2-amino-4-[3-(1-azepanylmethyl)-2,5-dimethylphenyl]-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-[3-(azepan-1-ylmethyl)-2,5-dimethylphenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate Traditional Name: 2-amino-4-[3-(azepan-1-ylmethyl)-2,5-dimethyl-phenyl]-5-keto-4,6,7,8-tetrahydrochromene-3-carboxylic acid ethyl ester Formula: C27H36N2O4 MolecularWeight: 452.58574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C(C1C3=CC(=CC(=C3C)CN4CCCCCC4)C)C(=O)CCC2)N

Isomeric SMILES

CCOC(=O)C1=C(OC2=C(C1C3=CC(=CC(=C3C)CN4CCCCCC4)C)C(=O)CCC2)N

InChI

InChI=1S/C27H36N2O4/c1-4-32-27(31)25-23(24-21(30)10-9-11-22(24)33-26(25)28)20-15-17(2)14-19(18(20)3)16-29-12-7-5-6-8-13-29/h14-15,23H,4-13,16,28H2,1-3H3