ethyl 4-[(6a-methyl-4,5,6,7,8,9-hexahydrophenalen-2-yl)-methyl-amino]benzoate

Systemtic Name: ethyl 4-[(6a-methyl-4,5,6,7,8,9-hexahydrophenalen-2-yl)-methyl-amino]benzoate Openeye Name: ethyl 4-[(6a-methyl-4,5,6,7,8,9-hexahydrophenalen-2-yl)-methyl-amino]benzoate CAS Name: 4-[(6a-methyl-4,5,6,7,8,9-hexahydrophenalen-2-yl)-methylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(6a-methyl-4,5,6,7,8,9-hexahydrophenalen-2-yl)-methylamino]benzoate Traditional Name: 4-[(6a-methyl-4,5,6,7,8,9-hexahydrophenalen-2-yl)-methyl-amino]benzoic acid ethyl ester Formula: C24H29NO2 MolecularWeight: 363.49256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N(C)C2=CC3=C4C(=C2)CCCC4(CCC3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(C)C2=CC3=C4C(=C2)CCCC4(CCC3)C

InChI

InChI=1S/C24H29NO2/c1-4-27-23(26)17-9-11-20(12-10-17)25(3)21-15-18-7-5-13-24(2)14-6-8-19(16-21)22(18)24/h9-12,15-16H,4-8,13-14H2,1-3H3