1-oxidanylidene-2-(phenylmethyl)spiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxylic acid

Systemtic Name: 1-oxidanylidene-2-(phenylmethyl)spiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxylic acid Openeye Name: 2-benzyl-1-oxo-spiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxylic acid CAS Name: 1-oxo-2-(phenylmethyl)-4-spiro[4H-isoquinoline-3,1'-cyclopentane]carboxylic acid IUPAC Name: 2-benzyl-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxylic acid Traditional Name: 2-benzyl-1-keto-spiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxylic acid Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C1)C(C3=CC=CC=C3C(=O)N2CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CCC2(C1)C(C3=CC=CC=C3C(=O)N2CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C21H21NO3/c23-19-17-11-5-4-10-16(17)18(20(24)25)21(12-6-7-13-21)22(19)14-15-8-2-1-3-9-15/h1-5,8-11,18H,6-7,12-14H2,(H,24,25)