methyl 2-[[3-(1-azanylethenyl)phenyl]methyl]-3-(1H-indol-5-ylcarbonylamino)butanoate

Systemtic Name: methyl 2-[[3-(1-azanylethenyl)phenyl]methyl]-3-(1H-indol-5-ylcarbonylamino)butanoate Openeye Name: methyl 2-[[3-(1-aminovinyl)phenyl]methyl]-3-(1H-indole-5-carbonylamino)butanoate CAS Name: 2-[[3-(1-aminoethenyl)phenyl]methyl]-3-[[1H-indol-5-yl(oxo)methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 2-[[3-(1-aminoethenyl)phenyl]methyl]-3-(1H-indole-5-carbonylamino)butanoate Traditional Name: 2-[3-(1-aminovinyl)benzyl]-3-(1H-indole-5-carbonylamino)butyric acid methyl ester Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=CC(=C1)C(=C)N)C(=O)OC)NC(=O)C2=CC3=C(C=C2)NC=C3

Isomeric SMILES

CC(C(CC1=CC=CC(=C1)C(=C)N)C(=O)OC)NC(=O)C2=CC3=C(C=C2)NC=C3

InChI

InChI=1S/C23H25N3O3/c1-14(24)17-6-4-5-16(11-17)12-20(23(28)29-3)15(2)26-22(27)19-7-8-21-18(13-19)9-10-25-21/h4-11,13,15,20,25H,1,12,24H2,2-3H3,(H,26,27)