1-[(3-carbamimidoylphenyl)methyl]indole-2-carboxylic acid; 3-methylbenzenecarboximidamide

Systemtic Name: 1-[(3-carbamimidoylphenyl)methyl]indole-2-carboxylic acid; 3-methylbenzenecarboximidamide Openeye Name: 1-[(3-carbamimidoylphenyl)methyl]indole-2-carboxylic acid; 3-methylbenzamidine CAS Name: 1-[(3-carbamimidoylphenyl)methyl]-2-indolecarboxylic acid; 3-methylbenzenecarboximidamide IUPAC Name: 1-[(3-carbamimidoylphenyl)methyl]indole-2-carboxylic acid; 3-methylbenzenecarboximidamide Traditional Name: 1-(3-amidinobenzyl)indole-2-carboxylic acid; 3-methylbenzamidine Formula: C25H25N5O2 MolecularWeight: 427.4983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=N)N.C1=CC=C2C(=C1)C=C(N2CC3=CC=CC(=C3)C(=N)N)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C(=N)N.C1=CC=C2C(=C1)C=C(N2CC3=CC=CC(=C3)C(=N)N)C(=O)O

InChI

InChI=1S/C17H15N3O2.C8H10N2/c18-16(19)13-6-3-4-11(8-13)10-20-14-7-2-1-5-12(14)9-15(20)17(21)22;1-6-3-2-4-7(5-6)8(9)10/h1-9H,10H2,(H3,18,19)(H,21,22);2-5H,1H3,(H3,9,10)