3-[3-(1-azanylethenylamino)propyl]-1-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-4-oxidanylidene-azetidine-2-carboxylic acid

Systemtic Name: 3-[3-(1-azanylethenylamino)propyl]-1-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-4-oxidanylidene-azetidine-2-carboxylic acid Openeye Name: 3-[3-(1-aminovinylamino)propyl]-1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-oxo-azetidine-2-carboxylic acid CAS Name: 3-[3-(1-aminoethenylamino)propyl]-1-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-4-oxo-2-azetidinecarboxylic acid IUPAC Name: 3-[3-(1-aminoethenylamino)propyl]-1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-oxoazetidine-2-carboxylic acid Traditional Name: 3-[3-(1-aminovinylamino)propyl]-1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-keto-azetidine-2-carboxylic acid Formula: C19H24N4O4 MolecularWeight: 372.41826

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Descriptors Computed from Structure

Canonical SMILES:

C=C(N)NCCCC1C(N(C1=O)C(=O)N2CCC3=CC=CC=C3C2)C(=O)O

Isomeric SMILES

C=C(N)NCCCC1C(N(C1=O)C(=O)N2CCC3=CC=CC=C3C2)C(=O)O

InChI

InChI=1S/C19H24N4O4/c1-12(20)21-9-4-7-15-16(18(25)26)23(17(15)24)19(27)22-10-8-13-5-2-3-6-14(13)11-22/h2-3,5-6,15-16,21H,1,4,7-11,20H2,(H,25,26)