methyl 4-(1,2,3,4,4a,10b-hexahydrophenanthridin-1-yl)benzoate

Systemtic Name: methyl 4-(1,2,3,4,4a,10b-hexahydrophenanthridin-1-yl)benzoate Openeye Name: methyl 4-(1,2,3,4,4a,10b-hexahydrophenanthridin-1-yl)benzoate CAS Name: 4-(1,2,3,4,4a,10b-hexahydrophenanthridin-1-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(1,2,3,4,4a,10b-hexahydrophenanthridin-1-yl)benzoate Traditional Name: 4-(1,2,3,4,4a,10b-hexahydrophenanthridin-1-yl)benzoic acid methyl ester Formula: C21H21NO2 MolecularWeight: 319.39694

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2CCCC3C2C4=CC=CC=C4C=N3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2CCCC3C2C4=CC=CC=C4C=N3

InChI

InChI=1S/C21H21NO2/c1-24-21(23)15-11-9-14(10-12-15)17-7-4-8-19-20(17)18-6-3-2-5-16(18)13-22-19/h2-3,5-6,9-13,17,19-20H,4,7-8H2,1H3