(2-oxidanyl-3-phenoxy-propyl) 4-azanyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-carboxylate

Systemtic Name: (2-oxidanyl-3-phenoxy-propyl) 4-azanyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-carboxylate Openeye Name: (2-hydroxy-3-phenoxy-propyl) 4-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-carboxylate CAS Name: 4-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-carboxylic acid (2-hydroxy-3-phenoxypropyl) ester IUPAC Name: (2-hydroxy-3-phenoxypropyl) 4-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-carboxylate Traditional Name: 4-amino-6,7,8,9-tetrahydro-5H-benzocycloheptene-3-carboxylic acid (2-hydroxy-3-phenoxy-propyl) ester Formula: C21H25NO4 MolecularWeight: 355.4275

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)C(=C(C=C2)C(=O)OCC(COC3=CC=CC=C3)O)N

Isomeric SMILES

C1CCC2=C(CC1)C(=C(C=C2)C(=O)OCC(COC3=CC=CC=C3)O)N

InChI

InChI=1S/C21H25NO4/c22-20-18-10-6-1-3-7-15(18)11-12-19(20)21(24)26-14-16(23)13-25-17-8-4-2-5-9-17/h2,4-5,8-9,11-12,16,23H,1,3,6-7,10,13-14,22H2