5-[(3,3-diphenylbenzo[f]chromen-7-yl)carbonylamino]pentanoic acid hydrate

Systemtic Name: 5-[(3,3-diphenylbenzo[f]chromen-7-yl)carbonylamino]pentanoic acid hydrate Openeye Name: 5-[(3,3-diphenylbenzo[f]chromene-7-carbonyl)amino]pentanoic acid hydrate CAS Name: 5-[[(3,3-diphenyl-7-benzo[f][1]benzopyranyl)-oxomethyl]amino]pentanoic acid hydrate IUPAC Name: 5-[(3,3-diphenylbenzo[f]chromene-7-carbonyl)amino]pentanoic acid hydrate Traditional Name: 5-[(3,3-diphenylbenzo[f]chromene-7-carbonyl)amino]valeric acid hydrate Formula: C62H56N2O9 MolecularWeight: 973.11604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2(C=CC3=C(O2)C=CC4=C3C=CC=C4C(=O)NCCCCC(=O)O)C5=CC=CC=C5.C1=CC=C(C=C1)C2(C=CC3=C(O2)C=CC4=C3C=CC=C4C(=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=C4C(=O)NCCCCC(=O)O)C5=CC=CC=C5.C1=CC=C(C=C1)C2(C=CC3=C(O2)C=CC4=C3C=CC=C4C(=O)NCCCCC(=O)O)C5=CC=CC=C5.O

InChI

InChI=1S/2C31H27NO4.H2O/c2*33-29(34)16-7-8-21-32-30(35)27-15-9-14-24-25(27)17-18-28-26(24)19-20-31(36-28,22-10-3-1-4-11-22)23-12-5-2-6-13-23;/h2*1-6,9-15,17-20H,7-8,16,21H2,(H,32,35)(H,33,34);1H2