4-[2-[1-(4-methoxyphenyl)propan-2-ylamino]ethanoyl]-7-oxidanyl-1H-indole-2-carboxylic acid

Systemtic Name: 4-[2-[1-(4-methoxyphenyl)propan-2-ylamino]ethanoyl]-7-oxidanyl-1H-indole-2-carboxylic acid Openeye Name: 7-hydroxy-4-[2-[[2-(4-methoxyphenyl)-1-methyl-ethyl]amino]acetyl]-1H-indole-2-carboxylic acid CAS Name: 7-hydroxy-4-[2-[1-(4-methoxyphenyl)propan-2-ylamino]-1-oxoethyl]-1H-indole-2-carboxylic acid IUPAC Name: 7-hydroxy-4-[2-[1-(4-methoxyphenyl)propan-2-ylamino]acetyl]-1H-indole-2-carboxylic acid Traditional Name: 7-hydroxy-4-[2-[[2-(4-methoxyphenyl)-1-methyl-ethyl]amino]acetyl]-1H-indole-2-carboxylic acid Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)OC)NCC(=O)C2=C3C=C(NC3=C(C=C2)O)C(=O)O

Isomeric SMILES

CC(CC1=CC=C(C=C1)OC)NCC(=O)C2=C3C=C(NC3=C(C=C2)O)C(=O)O

InChI

InChI=1S/C21H22N2O5/c1-12(9-13-3-5-14(28-2)6-4-13)22-11-19(25)15-7-8-18(24)20-16(15)10-17(23-20)21(26)27/h3-8,10,12,22-24H,9,11H2,1-2H3,(H,26,27)