3-(3-azanylpropyl)-5-[(4-methylphenyl)carbamoyl]-1H-indole-2-carboxylic acid

Systemtic Name: 3-(3-azanylpropyl)-5-[(4-methylphenyl)carbamoyl]-1H-indole-2-carboxylic acid Openeye Name: 3-(3-aminopropyl)-5-(p-tolylcarbamoyl)-1H-indole-2-carboxylic acid CAS Name: 3-(3-aminopropyl)-5-[(4-methylanilino)-oxomethyl]-1H-indole-2-carboxylic acid IUPAC Name: 3-(3-aminopropyl)-5-[(4-methylphenyl)carbamoyl]-1H-indole-2-carboxylic acid Traditional Name: 3-(3-aminopropyl)-5-(p-tolylcarbamoyl)-1H-indole-2-carboxylic acid Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)NC(=C3CCCN)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)NC(=C3CCCN)C(=O)O

InChI

InChI=1S/C20H21N3O3/c1-12-4-7-14(8-5-12)22-19(24)13-6-9-17-16(11-13)15(3-2-10-21)18(23-17)20(25)26/h4-9,11,23H,2-3,10,21H2,1H3,(H,22,24)(H,25,26)