(3,5-dimethoxyphenyl)methyl N-[1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: (3,5-dimethoxyphenyl)methyl N-[1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: (3,5-dimethoxyphenyl)methyl N-[2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamate CAS Name: N-[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamic acid (3,5-dimethoxyphenyl)methyl ester IUPAC Name: (3,5-dimethoxyphenyl)methyl N-[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate Traditional Name: N-[2-amino-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]carbamic acid (3,5-dimethoxybenzyl) ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)COC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)N)OC

Isomeric SMILES

COC1=CC(=CC(=C1)COC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)N)OC

InChI

InChI=1S/C21H23N3O5/c1-27-15-7-13(8-16(10-15)28-2)12-29-21(26)24-19(20(22)25)9-14-11-23-18-6-4-3-5-17(14)18/h3-8,10-11,19,23H,9,12H2,1-2H3,(H2,22,25)(H,24,26)