methyl 2-[(3-carbamimidoylphenyl)methyl]-3-(quinolin-6-ylcarbonylamino)butanoate

Systemtic Name: methyl 2-[(3-carbamimidoylphenyl)methyl]-3-(quinolin-6-ylcarbonylamino)butanoate Openeye Name: methyl 2-[(3-carbamimidoylphenyl)methyl]-3-(quinoline-6-carbonylamino)butanoate CAS Name: 2-[(3-carbamimidoylphenyl)methyl]-3-[[oxo(6-quinolinyl)methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 2-[(3-carbamimidoylphenyl)methyl]-3-(quinoline-6-carbonylamino)butanoate Traditional Name: 2-(3-amidinobenzyl)-3-(quinoline-6-carbonylamino)butyric acid methyl ester Formula: C23H24N4O3 MolecularWeight: 404.46166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N4O3/c1-14(27-22(28)18-8-9-20-16(13-18)7-4-10-26-20)19(23(29)30-2)12-15-5-3-6-17(11-15)21(24)25/h3-11,13-14,19H,12H2,1-2H3,(H3,24,25)(H,27,28)