methyl (3R)-2-[2-(butylcarbamoylamino)-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3R)-2-[2-(butylcarbamoylamino)-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-(butylcarbamoylamino)-2-oxo-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[2-[[butylamino(oxo)methyl]amino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-(butylcarbamoylamino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-(butylcarbamoylamino)-2-keto-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C18H25N3O4 MolecularWeight: 347.4088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)CN1CC2=CC=CC=C2CC1C(=O)OC

Isomeric SMILES

CCCCNC(=O)NC(=O)CN1CC2=CC=CC=C2C[C@@H]1C(=O)OC

InChI

InChI=1S/C18H25N3O4/c1-3-4-9-19-18(24)20-16(22)12-21-11-14-8-6-5-7-13(14)10-15(21)17(23)25-2/h5-8,15H,3-4,9-12H2,1-2H3,(H2,19,20,22,24)/t15-/m1/s1