7-methoxy-3-[3-[2-(4-methoxyphenyl)azepan-1-yl]-3-oxidanylidene-propyl]-4-methyl-chromen-2-one

Systemtic Name: 7-methoxy-3-[3-[2-(4-methoxyphenyl)azepan-1-yl]-3-oxidanylidene-propyl]-4-methyl-chromen-2-one Openeye Name: 7-methoxy-3-[3-[2-(4-methoxyphenyl)azepan-1-yl]-3-oxo-propyl]-4-methyl-chromen-2-one CAS Name: 7-methoxy-3-[3-[2-(4-methoxyphenyl)-1-azepanyl]-3-oxopropyl]-4-methyl-1-benzopyran-2-one IUPAC Name: 7-methoxy-3-[3-[2-(4-methoxyphenyl)azepan-1-yl]-3-oxopropyl]-4-methylchromen-2-one Traditional Name: 3-[3-keto-3-[2-(4-methoxyphenyl)azepan-1-yl]propyl]-7-methoxy-4-methyl-coumarin Formula: C27H31NO5 MolecularWeight: 449.53874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)N3CCCCCC3C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)N3CCCCCC3C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H31NO5/c1-18-22-13-12-21(32-3)17-25(22)33-27(30)23(18)14-15-26(29)28-16-6-4-5-7-24(28)19-8-10-20(31-2)11-9-19/h8-13,17,24H,4-7,14-16H2,1-3H3