(phenylmethyl) (2S)-3-methyl-2-[methyl-(7-octyl-1H-indol-4-yl)amino]butanoate

Systemtic Name: (phenylmethyl) (2S)-3-methyl-2-[methyl-(7-octyl-1H-indol-4-yl)amino]butanoate Openeye Name: benzyl (2S)-3-methyl-2-[methyl-(7-octyl-1H-indol-4-yl)amino]butanoate CAS Name: (2S)-3-methyl-2-[methyl-(7-octyl-1H-indol-4-yl)amino]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-3-methyl-2-[methyl-(7-octyl-1H-indol-4-yl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[methyl-(7-octyl-1H-indol-4-yl)amino]butyric acid benzyl ester Formula: C29H40N2O2 MolecularWeight: 448.6401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C2C(=C(C=C1)N(C)C(C(C)C)C(=O)OCC3=CC=CC=C3)C=CN2

Isomeric SMILES

CCCCCCCCC1=C2C(=C(C=C1)N(C)[C@@H](C(C)C)C(=O)OCC3=CC=CC=C3)C=CN2

InChI

InChI=1S/C29H40N2O2/c1-5-6-7-8-9-13-16-24-17-18-26(25-19-20-30-27(24)25)31(4)28(22(2)3)29(32)33-21-23-14-11-10-12-15-23/h10-12,14-15,17-20,22,28,30H,5-9,13,16,21H2,1-4H3/t28-/m0/s1