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

Systemtic Name: methyl 2-azanyl-4-[3-(azepan-1-ylmethyl)-2,5-dimethyl-phenyl]-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C26H34N2O4 MolecularWeight: 438.55916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2C3=C(CCCC3=O)OC(=C2C(=O)OC)N)C)CN4CCCCCC4

Isomeric SMILES

CC1=CC(=C(C(=C1)C2C3=C(CCCC3=O)OC(=C2C(=O)OC)N)C)CN4CCCCCC4

InChI

InChI=1S/C26H34N2O4/c1-16-13-18(15-28-11-6-4-5-7-12-28)17(2)19(14-16)22-23-20(29)9-8-10-21(23)32-25(27)24(22)26(30)31-3/h13-14,22H,4-12,15,27H2,1-3H3