1-[[3-(2-methylpropoxycarbonylamino)phenyl]methyl]indole-5-carboxylic acid

Systemtic Name: 1-[[3-(2-methylpropoxycarbonylamino)phenyl]methyl]indole-5-carboxylic acid Openeye Name: 1-[[3-(isobutoxycarbonylamino)phenyl]methyl]indole-5-carboxylic acid CAS Name: 1-[[3-[[2-methylpropoxy(oxo)methyl]amino]phenyl]methyl]-5-indolecarboxylic acid IUPAC Name: 1-[[3-(2-methylpropoxycarbonylamino)phenyl]methyl]indole-5-carboxylic acid Traditional Name: 1-[3-(isobutoxycarbonylamino)benzyl]indole-5-carboxylic acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)NC1=CC=CC(=C1)CN2C=CC3=C2C=CC(=C3)C(=O)O

Isomeric SMILES

CC(C)COC(=O)NC1=CC=CC(=C1)CN2C=CC3=C2C=CC(=C3)C(=O)O

InChI

InChI=1S/C21H22N2O4/c1-14(2)13-27-21(26)22-18-5-3-4-15(10-18)12-23-9-8-16-11-17(20(24)25)6-7-19(16)23/h3-11,14H,12-13H2,1-2H3,(H,22,26)(H,24,25)