2-methyl-1-oxidanylidene-10-phenethyl-4,5-dihydro-3H-azepino[3,4-b]indole-9-carboxylic acid

Systemtic Name: 2-methyl-1-oxidanylidene-10-phenethyl-4,5-dihydro-3H-azepino[3,4-b]indole-9-carboxylic acid Openeye Name: 2-methyl-1-oxo-10-phenethyl-4,5-dihydro-3H-azepino[3,4-b]indole-9-carboxylic acid CAS Name: 2-methyl-1-oxo-10-phenethyl-4,5-dihydro-3H-azepino[3,4-b]indole-9-carboxylic acid IUPAC Name: 2-methyl-1-oxo-10-phenethyl-4,5-dihydro-3H-azepino[3,4-b]indole-9-carboxylic acid Traditional Name: 1-keto-2-methyl-10-phenethyl-4,5-dihydro-3H-azepin[3,4-b]indole-9-carboxylic acid Formula: C22H22N2O3 MolecularWeight: 362.42168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC2=C(C1=O)N(C3=C2C=CC=C3C(=O)O)CCC4=CC=CC=C4

Isomeric SMILES

CN1CCCC2=C(C1=O)N(C3=C2C=CC=C3C(=O)O)CCC4=CC=CC=C4

InChI

InChI=1S/C22H22N2O3/c1-23-13-6-11-17-16-9-5-10-18(22(26)27)19(16)24(20(17)21(23)25)14-12-15-7-3-2-4-8-15/h2-5,7-10H,6,11-14H2,1H3,(H,26,27)