5-(2-methylpropanoylamino)-6-(naphthalen-1-ylmethoxy)-3-thiophen-2-yl-2,3-dihydro-1H-indene-1-carboxylic acid

Systemtic Name: 5-(2-methylpropanoylamino)-6-(naphthalen-1-ylmethoxy)-3-thiophen-2-yl-2,3-dihydro-1H-indene-1-carboxylic acid Openeye Name: 5-(2-methylpropanoylamino)-6-(1-naphthylmethoxy)-3-(2-thienyl)indane-1-carboxylic acid CAS Name: 5-[(2-methyl-1-oxopropyl)amino]-6-(1-naphthalenylmethoxy)-3-thiophen-2-yl-2,3-dihydro-1H-indene-1-carboxylic acid IUPAC Name: 5-(2-methylpropanoylamino)-6-(naphthalen-1-ylmethoxy)-3-thiophen-2-yl-2,3-dihydro-1H-indene-1-carboxylic acid Traditional Name: 5-(isobutyrylamino)-6-(1-naphthylmethoxy)-3-(2-thienyl)indane-1-carboxylic acid Formula: C29H27NO4S MolecularWeight: 485.59398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=C(C=C2C(CC(C2=C1)C3=CC=CS3)C(=O)O)OCC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC(C)C(=O)NC1=C(C=C2C(CC(C2=C1)C3=CC=CS3)C(=O)O)OCC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C29H27NO4S/c1-17(2)28(31)30-25-14-21-22(24(29(32)33)13-23(21)27-11-6-12-35-27)15-26(25)34-16-19-9-5-8-18-7-3-4-10-20(18)19/h3-12,14-15,17,23-24H,13,16H2,1-2H3,(H,30,31)(H,32,33)