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

Systemtic Name: 6-[(2-oxidanyl-3-phenoxy-propyl)amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-carboxylic acid Openeye Name: 6-[(2-hydroxy-3-phenoxy-propyl)amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-carboxylic acid CAS Name: 6-[(2-hydroxy-3-phenoxypropyl)amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-carboxylic acid IUPAC Name: 6-[(2-hydroxy-3-phenoxypropyl)amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-carboxylic acid Traditional Name: 6-[(2-hydroxy-3-phenoxy-propyl)amino]-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(CC2=C(C1)C=CC(=C2)C(=O)O)NCC(COC3=CC=CC=C3)O

Isomeric SMILES

C1CC(CC2=C(C1)C=CC(=C2)C(=O)O)NCC(COC3=CC=CC=C3)O

InChI

InChI=1S/C21H25NO4/c23-19(14-26-20-7-2-1-3-8-20)13-22-18-6-4-5-15-9-10-16(21(24)25)11-17(15)12-18/h1-3,7-11,18-19,22-23H,4-6,12-14H2,(H,24,25)