(E)-4-(1,2-dihydroacenaphthylen-5-yloxy)-4-oxidanylidene-but-2-enoic acid; 1-phenethyl-1-(phenylmethyl)guanidine

Systemtic Name: (E)-4-(1,2-dihydroacenaphthylen-5-yloxy)-4-oxidanylidene-but-2-enoic acid; 1-phenethyl-1-(phenylmethyl)guanidine Openeye Name: 1-benzyl-1-phenethyl-guanidine; (E)-4-(1,2-dihydroacenaphthylen-5-yloxy)-4-oxo-but-2-enoic acid CAS Name: (E)-4-(1,2-dihydroacenaphthylen-5-yloxy)-4-oxo-2-butenoic acid; 1-phenethyl-1-(phenylmethyl)guanidine IUPAC Name: 1-benzyl-1-phenethylguanidine; (E)-4-(1,2-dihydroacenaphthylen-5-yloxy)-4-oxobut-2-enoic acid Traditional Name: (E)-4-acenaphthen-5-yloxy-4-keto-but-2-enoic acid; 1-benzyl-1-phenethyl-guanidine Formula: C32H31N3O4 MolecularWeight: 521.60624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC3=C(C=CC1=C23)OC(=O)C=CC(=O)O.C1=CC=C(C=C1)CCN(CC2=CC=CC=C2)C(=N)N

Isomeric SMILES

C1CC2=CC=CC3=C(C=CC1=C23)OC(=O)/C=C/C(=O)O.C1=CC=C(C=C1)CCN(CC2=CC=CC=C2)C(=N)N

InChI

InChI=1S/C16H19N3.C16H12O4/c17-16(18)19(13-15-9-5-2-6-10-15)12-11-14-7-3-1-4-8-14;17-14(18)8-9-15(19)20-13-7-6-11-5-4-10-2-1-3-12(13)16(10)11/h1-10H,11-13H2,(H3,17,18);1-3,6-9H,4-5H2,(H,17,18)/b;9-8+