methyl (Z,3S)-5-(oxidanylamino)-3-[1-(phenylmethyl)indol-3-yl]hex-4-enoate

Systemtic Name: methyl (Z,3S)-5-(oxidanylamino)-3-[1-(phenylmethyl)indol-3-yl]hex-4-enoate Openeye Name: methyl (Z,3S)-3-(1-benzylindol-3-yl)-5-(hydroxyamino)hex-4-enoate CAS Name: (Z,3S)-5-(hydroxyamino)-3-[1-(phenylmethyl)-3-indolyl]-4-hexenoic acid methyl ester IUPAC Name: methyl (Z,3S)-3-(1-benzylindol-3-yl)-5-(hydroxyamino)hex-4-enoate Traditional Name: (Z,3S)-3-(1-benzylindol-3-yl)-5-(hydroxyamino)hex-4-enoic acid methyl ester Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(CC(=O)OC)C1=CN(C2=CC=CC=C21)CC3=CC=CC=C3)NO

Isomeric SMILES

C/C(=C/[C@H](CC(=O)OC)C1=CN(C2=CC=CC=C21)CC3=CC=CC=C3)/NO

InChI

InChI=1S/C22H24N2O3/c1-16(23-26)12-18(13-22(25)27-2)20-15-24(14-17-8-4-3-5-9-17)21-11-7-6-10-19(20)21/h3-12,15,18,23,26H,13-14H2,1-2H3/b16-12-/t18-/m1/s1