4-[2-[tert-butyl-(phenylmethyl)amino]ethanoyl]-7-phenylmethoxy-1H-indole-2-carboxylic acid

Systemtic Name: 4-[2-[tert-butyl-(phenylmethyl)amino]ethanoyl]-7-phenylmethoxy-1H-indole-2-carboxylic acid Openeye Name: 4-[2-[benzyl(tert-butyl)amino]acetyl]-7-benzyloxy-1H-indole-2-carboxylic acid CAS Name: 4-[2-[tert-butyl-(phenylmethyl)amino]-1-oxoethyl]-7-phenylmethoxy-1H-indole-2-carboxylic acid IUPAC Name: 4-[2-[benzyl(tert-butyl)amino]acetyl]-7-phenylmethoxy-1H-indole-2-carboxylic acid Traditional Name: 7-benzoxy-4-[2-[benzyl(tert-butyl)amino]acetyl]-1H-indole-2-carboxylic acid Formula: C29H30N2O4 MolecularWeight: 470.5595

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CC1=CC=CC=C1)CC(=O)C2=C3C=C(NC3=C(C=C2)OCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(C)(C)N(CC1=CC=CC=C1)CC(=O)C2=C3C=C(NC3=C(C=C2)OCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C29H30N2O4/c1-29(2,3)31(17-20-10-6-4-7-11-20)18-25(32)22-14-15-26(35-19-21-12-8-5-9-13-21)27-23(22)16-24(30-27)28(33)34/h4-16,30H,17-19H2,1-3H3,(H,33,34)