5-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]-4-phenoxy-undecanoic acid

Systemtic Name: 5-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]-4-phenoxy-undecanoic acid Openeye Name: 5-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]-4-phenoxy-undecanoic acid CAS Name: 5-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]-4-phenoxyundecanoic acid IUPAC Name: 5-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]-4-phenoxyundecanoic acid Traditional Name: 5-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]-4-phenoxy-undecanoic acid Formula: C29H45N3O11 MolecularWeight: 611.6811

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(CCC(=O)O)OC1=CC=CC=C1)N(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O

Isomeric SMILES

CCCCCCC(C(CCC(=O)O)OC1=CC=CC=C1)N(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O

InChI

InChI=1S/C29H45N3O11/c1-2-3-4-8-11-23(24(12-13-25(33)34)43-22-9-6-5-7-10-22)32(16-14-30(18-26(35)36)19-27(37)38)17-15-31(20-28(39)40)21-29(41)42/h5-7,9-10,23-24H,2-4,8,11-21H2,1H3,(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H,41,42)