2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]ethanoic acid; 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethyl-ethanamine

Systemtic Name: 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]ethanoic acid; 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethyl-ethanamine Openeye Name: 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid; 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethyl-ethanamine CAS Name: 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid; 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine IUPAC Name: 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid; 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine Traditional Name: 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid; 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl-dimethyl-amine Formula: C40H52N4O11 MolecularWeight: 764.86108

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3.C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O

Isomeric SMILES

CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3.C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O

InChI

InChI=1S/C26H29NO.C14H23N3O10/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3;18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27/h5-18H,4,19-20H2,1-3H3;1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27)/b26-25-;