1-[(4-aminophenyl)methyl]-6,6-dimethyl-3-pentyl-benzo[c]chromene-9-carboxylic acid

Systemtic Name: 1-[(4-aminophenyl)methyl]-6,6-dimethyl-3-pentyl-benzo[c]chromene-9-carboxylic acid Openeye Name: 1-[(4-aminophenyl)methyl]-6,6-dimethyl-3-pentyl-benzo[c]chromene-9-carboxylic acid CAS Name: 1-[(4-aminophenyl)methyl]-6,6-dimethyl-3-pentyl-9-benzo[c][1]benzopyrancarboxylic acid IUPAC Name: 1-[(4-aminophenyl)methyl]-6,6-dimethyl-3-pentylbenzo[c]chromene-9-carboxylic acid Traditional Name: 1-(4-aminobenzyl)-3-amyl-6,6-dimethyl-benzo[c]chromene-9-carboxylic acid Formula: C28H31NO3 MolecularWeight: 429.55064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C2C(=C1)OC(C3=C2C=C(C=C3)C(=O)O)(C)C)CC4=CC=C(C=C4)N

Isomeric SMILES

CCCCCC1=CC(=C2C(=C1)OC(C3=C2C=C(C=C3)C(=O)O)(C)C)CC4=CC=C(C=C4)N

InChI

InChI=1S/C28H31NO3/c1-4-5-6-7-19-15-21(14-18-8-11-22(29)12-9-18)26-23-17-20(27(30)31)10-13-24(23)28(2,3)32-25(26)16-19/h8-13,15-17H,4-7,14,29H2,1-3H3,(H,30,31)