3-(1H-indol-3-yl)-2-[(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)carbonylamino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)carbonylamino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[(2-methyl-4,5,6,7-tetrahydrobenzofuran-3-carbonyl)amino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[(2-methyl-4,5,6,7-tetrahydrobenzofuran-3-yl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carbonyl)amino]propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[(2-methyl-4,5,6,7-tetrahydrobenzofuran-3-carbonyl)amino]propionic acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)CCCC2)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O

Isomeric SMILES

CC1=C(C2=C(O1)CCCC2)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C21H22N2O4/c1-12-19(15-7-3-5-9-18(15)27-12)20(24)23-17(21(25)26)10-13-11-22-16-8-4-2-6-14(13)16/h2,4,6,8,11,17,22H,3,5,7,9-10H2,1H3,(H,23,24)(H,25,26)