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

Systemtic Name: (4S)-2-(2-methoxyethyl)-1-oxidanylidene-spiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxylic acid Openeye Name: (4S)-2-(2-methoxyethyl)-1-oxo-spiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxylic acid CAS Name: (4S)-2-(2-methoxyethyl)-1-oxo-4-spiro[4H-isoquinoline-3,1'-cyclopentane]carboxylic acid IUPAC Name: (4S)-2-(2-methoxyethyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxylic acid Traditional Name: (4S)-1-keto-2-(2-methoxyethyl)spiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxylic acid Formula: C17H21NO4 MolecularWeight: 303.35294

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=CC=CC=C2C(C13CCCC3)C(=O)O

Isomeric SMILES

COCCN1C(=O)C2=CC=CC=C2[C@@H](C13CCCC3)C(=O)O

InChI

InChI=1S/C17H21NO4/c1-22-11-10-18-15(19)13-7-3-2-6-12(13)14(16(20)21)17(18)8-4-5-9-17/h2-3,6-7,14H,4-5,8-11H2,1H3,(H,20,21)/t14-/m1/s1