2-diethylaminoethyl 2-(8-methyl-5-oxidanylidene-6H-benzo[b][1]benzoxepin-3-yl)propanoate; ethanoic acid

Systemtic Name: 2-diethylaminoethyl 2-(8-methyl-5-oxidanylidene-6H-benzo[b][1]benzoxepin-3-yl)propanoate; ethanoic acid Openeye Name: acetic acid; 2-diethylaminoethyl 2-(8-methyl-5-oxo-6H-benzo[b][1]benzoxepin-3-yl)propanoate CAS Name: acetic acid; 2-(8-methyl-5-oxo-6H-benzo[b][1]benzoxepin-3-yl)propanoic acid 2-diethylaminoethyl ester IUPAC Name: acetic acid; 2-diethylaminoethyl 2-(8-methyl-5-oxo-6H-benzo[b][1]benzoxepin-3-yl)propanoate Traditional Name: acetic acid; 2-(5-keto-8-methyl-6H-benzo[b][1]benzoxepin-3-yl)propionic acid 2-diethylaminoethyl ester Formula: C26H33NO6 MolecularWeight: 455.54332

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C(C)C1=CC2=C(C=C1)OC3=C(CC2=O)C=C(C=C3)C.CC(=O)O

Isomeric SMILES

CCN(CC)CCOC(=O)C(C)C1=CC2=C(C=C1)OC3=C(CC2=O)C=C(C=C3)C.CC(=O)O

InChI

InChI=1S/C24H29NO4.C2H4O2/c1-5-25(6-2)11-12-28-24(27)17(4)18-8-10-23-20(14-18)21(26)15-19-13-16(3)7-9-22(19)29-23;1-2(3)4/h7-10,13-14,17H,5-6,11-12,15H2,1-4H3;1H3,(H,3,4)