methyl (2S)-2-[[7-(3,7-dimethylocta-1,6-dien-3-yl)-1H-indol-4-yl]-methyl-amino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[[7-(3,7-dimethylocta-1,6-dien-3-yl)-1H-indol-4-yl]-methyl-amino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[[7-(1,5-dimethyl-1-vinyl-hex-4-enyl)-1H-indol-4-yl]-methyl-amino]-3-methyl-butanoate CAS Name: (2S)-2-[[7-(3,7-dimethylocta-1,6-dien-3-yl)-1H-indol-4-yl]-methylamino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[7-(3,7-dimethylocta-1,6-dien-3-yl)-1H-indol-4-yl]-methylamino]-3-methylbutanoate Traditional Name: (2S)-2-[[7-(1,5-dimethyl-1-vinyl-hex-4-enyl)-1H-indol-4-yl]-methyl-amino]-3-methyl-butyric acid methyl ester Formula: C25H36N2O2 MolecularWeight: 396.56554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)N(C)C1=C2C=CNC2=C(C=C1)C(C)(CCC=C(C)C)C=C

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)N(C)C1=C2C=CNC2=C(C=C1)C(C)(CCC=C(C)C)C=C

InChI

InChI=1S/C25H36N2O2/c1-9-25(6,15-10-11-17(2)3)20-12-13-21(19-14-16-26-22(19)20)27(7)23(18(4)5)24(28)29-8/h9,11-14,16,18,23,26H,1,10,15H2,2-8H3/t23-,25?/m0/s1