methyl 2-[(3-carbamimidoylphenyl)methyl]-3-(9H-pyrido[3,4-b]indol-3-ylcarbonylamino)butanoate

Systemtic Name: methyl 2-[(3-carbamimidoylphenyl)methyl]-3-(9H-pyrido[3,4-b]indol-3-ylcarbonylamino)butanoate Openeye Name: methyl 2-[(3-carbamimidoylphenyl)methyl]-3-(9H-pyrido[3,4-b]indole-3-carbonylamino)butanoate CAS Name: 2-[(3-carbamimidoylphenyl)methyl]-3-[[oxo(9H-pyrido[3,4-b]indol-3-yl)methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 2-[(3-carbamimidoylphenyl)methyl]-3-(9H-pyrido[3,4-b]indole-3-carbonylamino)butanoate Traditional Name: 2-(3-amidinobenzyl)-3-(9H-$b-carboline-3-carbonylamino)butyric acid methyl ester Formula: C25H25N5O3 MolecularWeight: 443.4977

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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=NC=C3C(=C2)C4=CC=CC=C4N3

Isomeric SMILES

CC(C(CC1=CC=CC(=C1)C(=N)N)C(=O)OC)NC(=O)C2=NC=C3C(=C2)C4=CC=CC=C4N3

InChI

InChI=1S/C25H25N5O3/c1-14(18(25(32)33-2)11-15-6-5-7-16(10-15)23(26)27)29-24(31)21-12-19-17-8-3-4-9-20(17)30-22(19)13-28-21/h3-10,12-14,18,30H,11H2,1-2H3,(H3,26,27)(H,29,31)