(3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-5-yl)methyl benzoate

Systemtic Name: (3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-5-yl)methyl benzoate Openeye Name: (3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-5-yl)methyl benzoate CAS Name: benzoic acid (3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-5-yl)methyl ester IUPAC Name: (3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-5-yl)methyl benzoate Traditional Name: benzoic acid (3-methyl-2,4,5,6-tetrahydro-1H-azepin[4,5-b]indol-5-yl)methyl ester Formula: C21H22N2O2 MolecularWeight: 334.41158

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C(C1)COC(=O)C3=CC=CC=C3)NC4=CC=CC=C24

Isomeric SMILES

CN1CCC2=C(C(C1)COC(=O)C3=CC=CC=C3)NC4=CC=CC=C24

InChI

InChI=1S/C21H22N2O2/c1-23-12-11-18-17-9-5-6-10-19(17)22-20(18)16(13-23)14-25-21(24)15-7-3-2-4-8-15/h2-10,16,22H,11-14H2,1H3