7-(4-pyrrolidin-1-ylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxylic acid

Systemtic Name: 7-(4-pyrrolidin-1-ylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxylic acid Openeye Name: 7-(4-pyrrolidin-1-ylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxylic acid CAS Name: 7-[4-(1-pyrrolidinyl)phenyl]-2,3-dihydro-1-benzoxepin-4-carboxylic acid IUPAC Name: 7-(4-pyrrolidin-1-ylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxylic acid Traditional Name: 7-(4-pyrrolidinophenyl)-2,3-dihydro-1-benzoxepin-4-carboxylic acid Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)C3=CC4=C(C=C3)OCCC(=C4)C(=O)O

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)C3=CC4=C(C=C3)OCCC(=C4)C(=O)O

InChI

InChI=1S/C21H21NO3/c23-21(24)17-9-12-25-20-8-5-16(13-18(20)14-17)15-3-6-19(7-4-15)22-10-1-2-11-22/h3-8,13-14H,1-2,9-12H2,(H,23,24)