1-[[5-methyl-2-(4-phenylbutoxy)-8,9-dihydro-7H-benzo[7]annulen-6-yl]methyl]azetidine-3-carboxylic acid

Systemtic Name: 1-[[5-methyl-2-(4-phenylbutoxy)-8,9-dihydro-7H-benzo[7]annulen-6-yl]methyl]azetidine-3-carboxylic acid Openeye Name: 1-[[5-methyl-2-(4-phenylbutoxy)-8,9-dihydro-7H-benzo[7]annulen-6-yl]methyl]azetidine-3-carboxylic acid CAS Name: 1-[[5-methyl-2-(4-phenylbutoxy)-8,9-dihydro-7H-benzo[7]annulen-6-yl]methyl]-3-azetidinecarboxylic acid IUPAC Name: 1-[[5-methyl-2-(4-phenylbutoxy)-8,9-dihydro-7H-benzo[7]annulen-6-yl]methyl]azetidine-3-carboxylic acid Traditional Name: 1-[[5-methyl-2-(4-phenylbutoxy)-8,9-dihydro-7H-benzocyclohepten-6-yl]methyl]azetidine-3-carboxylic acid Formula: C27H33NO3 MolecularWeight: 419.55582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CCCC2=C1C=CC(=C2)OCCCCC3=CC=CC=C3)CN4CC(C4)C(=O)O

Isomeric SMILES

CC1=C(CCCC2=C1C=CC(=C2)OCCCCC3=CC=CC=C3)CN4CC(C4)C(=O)O

InChI

InChI=1S/C27H33NO3/c1-20-23(17-28-18-24(19-28)27(29)30)12-7-11-22-16-25(13-14-26(20)22)31-15-6-5-10-21-8-3-2-4-9-21/h2-4,8-9,13-14,16,24H,5-7,10-12,15,17-19H2,1H3,(H,29,30)