(3S)-2-[(E)-2-methylpent-2-enoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: (3S)-2-[(E)-2-methylpent-2-enoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3S)-2-[(E)-2-methylpent-2-enoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3S)-2-[(E)-2-methyl-1-oxopent-2-enyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3S)-2-[(E)-2-methylpent-2-enoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3S)-2-[(E)-2-methylpent-2-enoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C16H19NO3 MolecularWeight: 273.32696

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Descriptors Computed from Structure

Canonical SMILES:

CCC=C(C)C(=O)N1CC2=CC=CC=C2CC1C(=O)O

Isomeric SMILES

CC/C=C(\C)/C(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)O

InChI

InChI=1S/C16H19NO3/c1-3-6-11(2)15(18)17-10-13-8-5-4-7-12(13)9-14(17)16(19)20/h4-8,14H,3,9-10H2,1-2H3,(H,19,20)/b11-6+/t14-/m0/s1