2-[3-(1-azanylethyl)-4,5-dimethyl-2-(phenylcarbonyl)indol-3-yl]ethanoic acid

Systemtic Name: 2-[3-(1-azanylethyl)-4,5-dimethyl-2-(phenylcarbonyl)indol-3-yl]ethanoic acid Openeye Name: 2-[3-(1-aminoethyl)-2-benzoyl-4,5-dimethyl-indol-3-yl]acetic acid CAS Name: 2-[3-(1-aminoethyl)-2-benzoyl-4,5-dimethyl-3-indolyl]acetic acid IUPAC Name: 2-[3-(1-aminoethyl)-2-benzoyl-4,5-dimethylindol-3-yl]acetic acid Traditional Name: 2-[3-(1-aminoethyl)-2-benzoyl-4,5-dimethyl-indol-3-yl]acetic acid Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)N=C(C2(CC(=O)O)C(C)N)C(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C2=C(C=C1)N=C(C2(CC(=O)O)C(C)N)C(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C21H22N2O3/c1-12-9-10-16-18(13(12)2)21(14(3)22,11-17(24)25)20(23-16)19(26)15-7-5-4-6-8-15/h4-10,14H,11,22H2,1-3H3,(H,24,25)