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

Systemtic Name: methyl (2S)-2-[(7-hexyl-1H-indol-4-yl)-methanoyl-amino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[formyl-(7-hexyl-1H-indol-4-yl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[formyl-(7-hexyl-1H-indol-4-yl)amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[formyl-(7-hexyl-1H-indol-4-yl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[formyl-(7-hexyl-1H-indol-4-yl)amino]-3-methyl-butyric acid methyl ester Formula: C21H30N2O3 MolecularWeight: 358.4745

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C2C(=C(C=C1)N(C=O)C(C(C)C)C(=O)OC)C=CN2

Isomeric SMILES

CCCCCCC1=C2C(=C(C=C1)N(C=O)[C@@H](C(C)C)C(=O)OC)C=CN2

InChI

InChI=1S/C21H30N2O3/c1-5-6-7-8-9-16-10-11-18(17-12-13-22-19(16)17)23(14-24)20(15(2)3)21(25)26-4/h10-15,20,22H,5-9H2,1-4H3/t20-/m0/s1