methyl 2-[[3-(1-azanylethenyl)phenyl]methyl]-3-(quinolin-6-ylcarbonylamino)butanoate

Systemtic Name: methyl 2-[[3-(1-azanylethenyl)phenyl]methyl]-3-(quinolin-6-ylcarbonylamino)butanoate Openeye Name: methyl 2-[[3-(1-aminovinyl)phenyl]methyl]-3-(quinoline-6-carbonylamino)butanoate CAS Name: 2-[[3-(1-aminoethenyl)phenyl]methyl]-3-[[oxo(6-quinolinyl)methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 2-[[3-(1-aminoethenyl)phenyl]methyl]-3-(quinoline-6-carbonylamino)butanoate Traditional Name: 2-[3-(1-aminovinyl)benzyl]-3-(quinoline-6-carbonylamino)butyric acid methyl ester Formula: C24H25N3O3 MolecularWeight: 403.4736

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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)N=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3O3/c1-15(25)18-7-4-6-17(12-18)13-21(24(29)30-3)16(2)27-23(28)20-9-10-22-19(14-20)8-5-11-26-22/h4-12,14,16,21H,1,13,25H2,2-3H3,(H,27,28)