2-(2,7-dimethyl-1-oxidanylidene-4,5-dihydro-3H-azepino[3,4-b]indol-10-yl)ethanoic acid

Systemtic Name: 2-(2,7-dimethyl-1-oxidanylidene-4,5-dihydro-3H-azepino[3,4-b]indol-10-yl)ethanoic acid Openeye Name: 2-(2,7-dimethyl-1-oxo-4,5-dihydro-3H-azepino[3,4-b]indol-10-yl)acetic acid CAS Name: 2-(2,7-dimethyl-1-oxo-4,5-dihydro-3H-azepino[3,4-b]indol-10-yl)acetic acid IUPAC Name: 2-(2,7-dimethyl-1-oxo-4,5-dihydro-3H-azepino[3,4-b]indol-10-yl)acetic acid Traditional Name: 2-(1-keto-2,7-dimethyl-4,5-dihydro-3H-azepin[3,4-b]indol-10-yl)acetic acid Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C3=C2CCCN(C3=O)C)CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N(C3=C2CCCN(C3=O)C)CC(=O)O

InChI

InChI=1S/C16H18N2O3/c1-10-5-6-13-12(8-10)11-4-3-7-17(2)16(21)15(11)18(13)9-14(19)20/h5-6,8H,3-4,7,9H2,1-2H3,(H,19,20)