4-[[3-[[[(2S)-2-azanylpent-4-enoyl]amino]methyl]-2-ethyl-phenyl]amino]-6,7-diethoxy-quinoline-3-carboxamide

Systemtic Name: 4-[[3-[[[(2S)-2-azanylpent-4-enoyl]amino]methyl]-2-ethyl-phenyl]amino]-6,7-diethoxy-quinoline-3-carboxamide Openeye Name: 4-[3-[[[(2S)-2-aminopent-4-enoyl]amino]methyl]-2-ethyl-anilino]-6,7-diethoxy-quinoline-3-carboxamide CAS Name: 4-[3-[[[(2S)-2-amino-1-oxopent-4-enyl]amino]methyl]-2-ethylanilino]-6,7-diethoxy-3-quinolinecarboxamide IUPAC Name: 4-[3-[[[(2S)-2-aminopent-4-enoyl]amino]methyl]-2-ethylanilino]-6,7-diethoxyquinoline-3-carboxamide Traditional Name: 4-[3-[[[(2S)-2-aminopent-4-enoyl]amino]methyl]-2-ethyl-anilino]-6,7-diethoxy-quinoline-3-carboxamide Formula: C28H35N5O4 MolecularWeight: 505.6086

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC=C1NC2=C(C=NC3=CC(=C(C=C32)OCC)OCC)C(=O)N)CNC(=O)C(CC=C)N

Isomeric SMILES

CCC1=C(C=CC=C1NC2=C(C=NC3=CC(=C(C=C32)OCC)OCC)C(=O)N)CNC(=O)[C@H](CC=C)N

InChI

InChI=1S/C28H35N5O4/c1-5-10-21(29)28(35)32-15-17-11-9-12-22(18(17)6-2)33-26-19-13-24(36-7-3)25(37-8-4)14-23(19)31-16-20(26)27(30)34/h5,9,11-14,16,21H,1,6-8,10,15,29H2,2-4H3,(H2,30,34)(H,31,33)(H,32,35)/t21-/m0/s1