2-[2-(4-chloranyl-3-methyl-phenoxy)ethanoylamino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[2-(4-chloranyl-3-methyl-phenoxy)ethanoylamino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[[2-(4-chloro-3-methyl-phenoxy)acetyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[2-(4-chloro-3-methylphenoxy)-1-oxoethyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[[2-(4-chloro-3-methyl-phenoxy)acetyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C20H19ClN2O4 MolecularWeight: 386.82886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)Cl

InChI

InChI=1S/C20H19ClN2O4/c1-12-8-14(6-7-16(12)21)27-11-19(24)23-18(20(25)26)9-13-10-22-17-5-3-2-4-15(13)17/h2-8,10,18,22H,9,11H2,1H3,(H,23,24)(H,25,26)