(phenylmethyl) 2-[[3-(2-azanyl-3-ethoxy-3-oxidanylidene-propyl)-1H-indol-4-yl]-methyl-amino]-3-methyl-butanoate

Systemtic Name: (phenylmethyl) 2-[[3-(2-azanyl-3-ethoxy-3-oxidanylidene-propyl)-1H-indol-4-yl]-methyl-amino]-3-methyl-butanoate Openeye Name: benzyl 2-[[3-(2-amino-3-ethoxy-3-oxo-propyl)-1H-indol-4-yl]-methyl-amino]-3-methyl-butanoate CAS Name: 2-[[3-(2-amino-3-ethoxy-3-oxopropyl)-1H-indol-4-yl]-methylamino]-3-methylbutanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[3-(2-amino-3-ethoxy-3-oxopropyl)-1H-indol-4-yl]-methylamino]-3-methylbutanoate Traditional Name: 2-[[3-(2-amino-3-ethoxy-3-keto-propyl)-1H-indol-4-yl]-methyl-amino]-3-methyl-butyric acid benzyl ester Formula: C26H33N3O4 MolecularWeight: 451.55792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CNC2=C1C(=CC=C2)N(C)C(C(C)C)C(=O)OCC3=CC=CC=C3)N

Isomeric SMILES

CCOC(=O)C(CC1=CNC2=C1C(=CC=C2)N(C)C(C(C)C)C(=O)OCC3=CC=CC=C3)N

InChI

InChI=1S/C26H33N3O4/c1-5-32-25(30)20(27)14-19-15-28-21-12-9-13-22(23(19)21)29(4)24(17(2)3)26(31)33-16-18-10-7-6-8-11-18/h6-13,15,17,20,24,28H,5,14,16,27H2,1-4H3