2-[2-[(4-azanyl-1-ethoxy-1-oxidanylidene-butan-2-yl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[2-[(4-azanyl-1-ethoxy-1-oxidanylidene-butan-2-yl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-[2-[(3-amino-1-ethoxycarbonyl-propyl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[2-[(4-amino-1-ethoxy-1-oxobutan-2-yl)amino]-1-oxopropyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-[2-[(4-amino-1-ethoxy-1-oxobutan-2-yl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[2-[(3-amino-1-carbethoxy-propyl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C19H27N3O5 MolecularWeight: 377.43478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCN)NC(C)C(=O)N1CC2=CC=CC=C2CC1C(=O)O

Isomeric SMILES

CCOC(=O)C(CCN)NC(C)C(=O)N1CC2=CC=CC=C2CC1C(=O)O

InChI

InChI=1S/C19H27N3O5/c1-3-27-19(26)15(8-9-20)21-12(2)17(23)22-11-14-7-5-4-6-13(14)10-16(22)18(24)25/h4-7,12,15-16,21H,3,8-11,20H2,1-2H3,(H,24,25)