4-[[(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]butanoate

Systemtic Name: 4-[[(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]butanoate Openeye Name: 4-[[(3S)-2-tert-butoxycarbonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]butanoate CAS Name: 4-[[[(3S)-2-[(2-methylpropan-2-yl)oxy-oxomethyl]-3,4-dihydro-1H-isoquinolin-3-yl]-oxomethyl]amino]butanoate IUPAC Name: 4-[[(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]butanoate Traditional Name: 4-[[(3S)-2-tert-butoxycarbonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]butyrate Formula: C19H25N2O5- MolecularWeight: 361.4122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)NCCCC(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)NCCCC(=O)[O-]

InChI

InChI=1S/C19H26N2O5/c1-19(2,3)26-18(25)21-12-14-8-5-4-7-13(14)11-15(21)17(24)20-10-6-9-16(22)23/h4-5,7-8,15H,6,9-12H2,1-3H3,(H,20,24)(H,22,23)/p-1/t15-/m0/s1