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

Systemtic Name: 4-[(6a-methyl-4,5,6,7,8,9-hexahydrophenalen-2-yl)-methyl-amino]benzoic acid Openeye Name: 4-[(6a-methyl-4,5,6,7,8,9-hexahydrophenalen-2-yl)-methyl-amino]benzoic acid CAS Name: 4-[(6a-methyl-4,5,6,7,8,9-hexahydrophenalen-2-yl)-methylamino]benzoic acid IUPAC Name: 4-[(6a-methyl-4,5,6,7,8,9-hexahydrophenalen-2-yl)-methylamino]benzoic acid Traditional Name: 4-[(6a-methyl-4,5,6,7,8,9-hexahydrophenalen-2-yl)-methyl-amino]benzoic acid Formula: C22H25NO2 MolecularWeight: 335.4394

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCCC3=CC(=CC(=C31)CCC2)N(C)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC12CCCC3=CC(=CC(=C31)CCC2)N(C)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H25NO2/c1-22-11-3-5-16-13-19(14-17(20(16)22)6-4-12-22)23(2)18-9-7-15(8-10-18)21(24)25/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,24,25)