2-[3-[(diphenylmethyl)carbamoyl]pyrrol-1-yl]ethanoic acid; hexane

Systemtic Name: 2-[3-[(diphenylmethyl)carbamoyl]pyrrol-1-yl]ethanoic acid; hexane Openeye Name: 2-[3-(benzhydrylcarbamoyl)pyrrol-1-yl]acetic acid; hexane CAS Name: 2-[3-[[(diphenylmethyl)amino]-oxomethyl]-1-pyrrolyl]acetic acid; hexane IUPAC Name: 2-[3-(benzhydrylcarbamoyl)pyrrol-1-yl]acetic acid; hexane Traditional Name: 2-[3-(benzhydrylcarbamoyl)pyrrol-1-yl]acetic acid; n-hexane Formula: C26H32N2O3 MolecularWeight: 420.54388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC.C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)C3=CN(C=C3)CC(=O)O

Isomeric SMILES

CCCCCC.C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)C3=CN(C=C3)CC(=O)O

InChI

InChI=1S/C20H18N2O3.C6H14/c23-18(24)14-22-12-11-17(13-22)20(25)21-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16;1-3-5-6-4-2/h1-13,19H,14H2,(H,21,25)(H,23,24);3-6H2,1-2H3