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

Systemtic Name: methyl (2S)-2-[[3-(2-azanyl-3-oxidanyl-propyl)-7-hexyl-1H-indol-4-yl]-methyl-amino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[[3-(2-amino-3-hydroxy-propyl)-7-hexyl-1H-indol-4-yl]-methyl-amino]-3-methyl-butanoate CAS Name: (2S)-2-[[3-(2-amino-3-hydroxypropyl)-7-hexyl-1H-indol-4-yl]-methylamino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[3-(2-amino-3-hydroxypropyl)-7-hexyl-1H-indol-4-yl]-methylamino]-3-methylbutanoate Traditional Name: (2S)-2-[[3-(2-amino-3-hydroxy-propyl)-7-hexyl-1H-indol-4-yl]-methyl-amino]-3-methyl-butyric acid methyl ester Formula: C24H39N3O3 MolecularWeight: 417.58476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H39N3O3/c1-6-7-8-9-10-17-11-12-20(27(4)23(16(2)3)24(29)30-5)21-18(13-19(25)15-28)14-26-22(17)21/h11-12,14,16,19,23,26,28H,6-10,13,15,25H2,1-5H3/t19?,23-/m0/s1