(3R,4S)-1-oxidanylidene-3-propan-2-yl-2-propyl-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: (3R,4S)-1-oxidanylidene-3-propan-2-yl-2-propyl-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3R,4S)-3-isopropyl-1-oxo-2-propyl-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3R,4S)-1-oxo-3-propan-2-yl-2-propyl-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3R,4S)-1-oxo-3-propan-2-yl-2-propyl-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3R,4S)-3-isopropyl-1-keto-2-propyl-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(C(C2=CC=CC=C2C1=O)C(=O)O)C(C)C

Isomeric SMILES

CCCN1[C@@H]([C@H](C2=CC=CC=C2C1=O)C(=O)O)C(C)C

InChI

InChI=1S/C16H21NO3/c1-4-9-17-14(10(2)3)13(16(19)20)11-7-5-6-8-12(11)15(17)18/h5-8,10,13-14H,4,9H2,1-3H3,(H,19,20)/t13-,14+/m0/s1