methyl 4-(8,9-diethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)benzoate

Systemtic Name: methyl 4-(8,9-diethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)benzoate Openeye Name: methyl 4-(8,9-diethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)benzoate CAS Name: 4-(8,9-diethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(8,9-diethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)benzoate Traditional Name: 4-(8,9-diethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)benzoic acid methyl ester Formula: C25H29NO4 MolecularWeight: 407.50206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C3CCCCC3N=C2C4=CC=C(C=C4)C(=O)OC)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C3CCCCC3N=C2C4=CC=C(C=C4)C(=O)OC)OCC

InChI

InChI=1S/C25H29NO4/c1-4-29-22-14-19-18-8-6-7-9-21(18)26-24(20(19)15-23(22)30-5-2)16-10-12-17(13-11-16)25(27)28-3/h10-15,18,21H,4-9H2,1-3H3