5-[(3,3-diphenylbenzo[f]chromen-8-yl)carbonylamino]pentanoic acid hydrate

Systemtic Name: 5-[(3,3-diphenylbenzo[f]chromen-8-yl)carbonylamino]pentanoic acid hydrate Openeye Name: 5-[(3,3-diphenylbenzo[f]chromene-8-carbonyl)amino]pentanoic acid hydrate CAS Name: 5-[[(3,3-diphenyl-8-benzo[f][1]benzopyranyl)-oxomethyl]amino]pentanoic acid hydrate IUPAC Name: 5-[(3,3-diphenylbenzo[f]chromene-8-carbonyl)amino]pentanoic acid hydrate Traditional Name: 5-[(3,3-diphenylbenzo[f]chromene-8-carbonyl)amino]valeric acid hydrate Formula: C31H29NO5 MolecularWeight: 495.56566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2(C=CC3=C(O2)C=CC4=C3C=CC(=C4)C(=O)NCCCCC(=O)O)C5=CC=CC=C5.O

Isomeric SMILES

C1=CC=C(C=C1)C2(C=CC3=C(O2)C=CC4=C3C=CC(=C4)C(=O)NCCCCC(=O)O)C5=CC=CC=C5.O

InChI

InChI=1S/C31H27NO4.H2O/c33-29(34)13-7-8-20-32-30(35)23-14-16-26-22(21-23)15-17-28-27(26)18-19-31(36-28,24-9-3-1-4-10-24)25-11-5-2-6-12-25;/h1-6,9-12,14-19,21H,7-8,13,20H2,(H,32,35)(H,33,34);1H2