dimethyl 5-[[4-(heptadecylamino)phenyl]amino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[4-(heptadecylamino)phenyl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[4-(heptadecylamino)anilino]benzene-1,3-dicarboxylate CAS Name: 5-[4-(heptadecylamino)anilino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[4-(heptadecylamino)anilino]benzene-1,3-dicarboxylate Traditional Name: 5-[4-(heptadecylamino)anilino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C33H50N2O4 MolecularWeight: 538.7611

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCNC1=CC=C(C=C1)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCNC1=CC=C(C=C1)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C33H50N2O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-34-29-19-21-30(22-20-29)35-31-25-27(32(36)38-2)24-28(26-31)33(37)39-3/h19-22,24-26,34-35H,4-18,23H2,1-3H3