5-azanyl-6-(2-oxidanyl-3-phenoxy-propyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-carboxylic acid

Systemtic Name: 5-azanyl-6-(2-oxidanyl-3-phenoxy-propyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-carboxylic acid Openeye Name: 5-amino-6-(2-hydroxy-3-phenoxy-propyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-carboxylic acid CAS Name: 5-amino-6-(2-hydroxy-3-phenoxypropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-carboxylic acid IUPAC Name: 5-amino-6-(2-hydroxy-3-phenoxypropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-carboxylic acid Traditional Name: 5-amino-6-(2-hydroxy-3-phenoxy-propyl)-6,7,8,9-tetrahydro-5H-benzocycloheptene-3-carboxylic acid Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C2=C(C1)C=CC(=C2)C(=O)O)N)CC(COC3=CC=CC=C3)O

Isomeric SMILES

C1CC(C(C2=C(C1)C=CC(=C2)C(=O)O)N)CC(COC3=CC=CC=C3)O

InChI

InChI=1S/C21H25NO4/c22-20-15(11-17(23)13-26-18-7-2-1-3-8-18)6-4-5-14-9-10-16(21(24)25)12-19(14)20/h1-3,7-10,12,15,17,20,23H,4-6,11,13,22H2,(H,24,25)