1-[(2S)-2-azanyl-2-(1,3-benzodioxol-5-yl)ethyl]azocan-2-one

Systemtic Name: 1-[(2S)-2-azanyl-2-(1,3-benzodioxol-5-yl)ethyl]azocan-2-one Openeye Name: 1-[(2S)-2-amino-2-(1,3-benzodioxol-5-yl)ethyl]azocan-2-one CAS Name: 1-[(2S)-2-amino-2-(1,3-benzodioxol-5-yl)ethyl]-2-azocanone IUPAC Name: 1-[(2S)-2-amino-2-(1,3-benzodioxol-5-yl)ethyl]azocan-2-one Traditional Name: 1-[(2S)-2-amino-2-(1,3-benzodioxol-5-yl)ethyl]azocan-2-one Formula: C16H22N2O3 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(C(=O)CC1)CC(C2=CC3=C(C=C2)OCO3)N

Isomeric SMILES

C1CCCN(C(=O)CC1)C[C@H](C2=CC3=C(C=C2)OCO3)N

InChI

InChI=1S/C16H22N2O3/c17-13(10-18-8-4-2-1-3-5-16(18)19)12-6-7-14-15(9-12)21-11-20-14/h6-7,9,13H,1-5,8,10-11,17H2/t13-/m1/s1