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

Systemtic Name: (phenylmethyl) N-[(2S)-1-(3-butoxypropylamino)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-2-(3-butoxypropylamino)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-(3-butoxypropylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-(3-butoxypropylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-2-(3-butoxypropylamino)-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]carbamic acid benzyl ester Formula: C26H33N3O4 MolecularWeight: 451.55792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCCNC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCOCCCNC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H33N3O4/c1-2-3-15-32-16-9-14-27-25(30)24(17-21-18-28-23-13-8-7-12-22(21)23)29-26(31)33-19-20-10-5-4-6-11-20/h4-8,10-13,18,24,28H,2-3,9,14-17,19H2,1H3,(H,27,30)(H,29,31)/t24-/m0/s1