methyl (2S)-2-(7-azidoheptanoylamino)-2-[(1S)-1-naphthalen-2-ylethoxy]ethanoate

Systemtic Name: methyl (2S)-2-(7-azidoheptanoylamino)-2-[(1S)-1-naphthalen-2-ylethoxy]ethanoate Openeye Name: methyl (2S)-2-(7-azidoheptanoylamino)-2-[(1S)-1-(2-naphthyl)ethoxy]acetate CAS Name: (2S)-2-[(7-azido-1-oxoheptyl)amino]-2-[(1S)-1-(2-naphthalenyl)ethoxy]acetic acid methyl ester IUPAC Name: methyl (2S)-2-(7-azidoheptanoylamino)-2-[(1S)-1-naphthalen-2-ylethoxy]acetate Traditional Name: (2S)-2-(7-azidoheptanoylamino)-2-[(1S)-1-(2-naphthyl)ethoxy]acetic acid methyl ester Formula: C22H28N4O4 MolecularWeight: 412.48212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=CC=CC=C2C=C1)OC(C(=O)OC)NC(=O)CCCCCCN=[N+]=[N-]

Isomeric SMILES

C[C@@H](C1=CC2=CC=CC=C2C=C1)O[C@@H](C(=O)OC)NC(=O)CCCCCCN=[N+]=[N-]

InChI

InChI=1S/C22H28N4O4/c1-16(18-13-12-17-9-6-7-10-19(17)15-18)30-21(22(28)29-2)25-20(27)11-5-3-4-8-14-24-26-23/h6-7,9-10,12-13,15-16,21H,3-5,8,11,14H2,1-2H3,(H,25,27)/t16-,21-/m0/s1