methyl 4-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-cyclopropyl-1-(phenylmethyl)indol-5-yl]oxybutanoate

Systemtic Name: methyl 4-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-cyclopropyl-1-(phenylmethyl)indol-5-yl]oxybutanoate Openeye Name: methyl 4-[3-(2-amino-2-oxo-ethyl)-1-benzyl-2-cyclopropyl-indol-5-yl]oxybutanoate CAS Name: 4-[[3-(2-amino-2-oxoethyl)-2-cyclopropyl-1-(phenylmethyl)-5-indolyl]oxy]butanoic acid methyl ester IUPAC Name: methyl 4-[3-(2-amino-2-oxoethyl)-1-benzyl-2-cyclopropylindol-5-yl]oxybutanoate Traditional Name: 4-[3-(2-amino-2-keto-ethyl)-1-benzyl-2-cyclopropyl-indol-5-yl]oxybutyric acid methyl ester Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCOC1=CC2=C(C=C1)N(C(=C2CC(=O)N)C3CC3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)CCCOC1=CC2=C(C=C1)N(C(=C2CC(=O)N)C3CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H28N2O4/c1-30-24(29)8-5-13-31-19-11-12-22-20(14-19)21(15-23(26)28)25(18-9-10-18)27(22)16-17-6-3-2-4-7-17/h2-4,6-7,11-12,14,18H,5,8-10,13,15-16H2,1H3,(H2,26,28)