(phenylmethyl) N-[(2S)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(4-phenoxybutylamino)propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(4-phenoxybutylamino)propan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-(1H-indol-3-ylmethyl)-2-oxo-2-(4-phenoxybutylamino)ethyl]carbamate CAS Name: N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(4-phenoxybutylamino)propan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(4-phenoxybutylamino)propan-2-yl]carbamate Traditional Name: N-[(1S)-1-(1H-indol-3-ylmethyl)-2-keto-2-(4-phenoxybutylamino)ethyl]carbamic acid benzyl ester Formula: C29H31N3O4 MolecularWeight: 485.57414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NCCCCOC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)NCCCCOC4=CC=CC=C4

InChI

InChI=1S/C29H31N3O4/c33-28(30-17-9-10-18-35-24-13-5-2-6-14-24)27(19-23-20-31-26-16-8-7-15-25(23)26)32-29(34)36-21-22-11-3-1-4-12-22/h1-8,11-16,20,27,31H,9-10,17-19,21H2,(H,30,33)(H,32,34)/t27-/m0/s1