methyl (2R)-2-[[4-(4-ethoxyphenyl)-4-oxidanylidene-butanoyl]amino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl (2R)-2-[[4-(4-ethoxyphenyl)-4-oxidanylidene-butanoyl]amino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2R)-2-[[4-(4-ethoxyphenyl)-4-oxo-butanoyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2R)-2-[[4-(4-ethoxyphenyl)-1,4-dioxobutyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2R)-3-(1H-indol-3-yl)-2-[(4-keto-4-p-phenetyl-butanoyl)amino]propionic acid methyl ester Formula: C24H26N2O5 MolecularWeight: 422.47364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CCC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)CCC(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C24H26N2O5/c1-3-31-18-10-8-16(9-11-18)22(27)12-13-23(28)26-21(24(29)30-2)14-17-15-25-20-7-5-4-6-19(17)20/h4-11,15,21,25H,3,12-14H2,1-2H3,(H,26,28)/t21-/m1/s1