quinolin-2-ylmethyl N-[6-[3-(2-azanylethyl)oxiran-2-yl]-4-oxidanylidene-hexyl]carbamate

Systemtic Name: quinolin-2-ylmethyl N-[6-[3-(2-azanylethyl)oxiran-2-yl]-4-oxidanylidene-hexyl]carbamate Openeye Name: 2-quinolylmethyl N-[6-[3-(2-aminoethyl)oxiran-2-yl]-4-oxo-hexyl]carbamate CAS Name: N-[6-[3-(2-aminoethyl)-2-oxiranyl]-4-oxohexyl]carbamic acid 2-quinolinylmethyl ester IUPAC Name: quinolin-2-ylmethyl N-[6-[3-(2-aminoethyl)oxiran-2-yl]-4-oxohexyl]carbamate Traditional Name: N-[6-[3-(2-aminoethyl)oxiran-2-yl]-4-keto-hexyl]carbamic acid 2-quinolylmethyl ester Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)COC(=O)NCCCC(=O)CCC3C(O3)CCN

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)COC(=O)NCCCC(=O)CCC3C(O3)CCN

InChI

InChI=1S/C21H27N3O4/c22-12-11-20-19(28-20)10-9-17(25)5-3-13-23-21(26)27-14-16-8-7-15-4-1-2-6-18(15)24-16/h1-2,4,6-8,19-20H,3,5,9-14,22H2,(H,23,26)