methyl 9-[2-azanyl-1-[4-[(3-bromanyl-5-methyl-phenyl)methyl]-3-propyl-phenyl]-2-oxidanylidene-ethoxy]nonanoate

Systemtic Name: methyl 9-[2-azanyl-1-[4-[(3-bromanyl-5-methyl-phenyl)methyl]-3-propyl-phenyl]-2-oxidanylidene-ethoxy]nonanoate Openeye Name: methyl 9-[2-amino-1-[4-[(3-bromo-5-methyl-phenyl)methyl]-3-propyl-phenyl]-2-oxo-ethoxy]nonanoate CAS Name: 9-[2-amino-1-[4-[(3-bromo-5-methylphenyl)methyl]-3-propylphenyl]-2-oxoethoxy]nonanoic acid methyl ester IUPAC Name: methyl 9-[2-amino-1-[4-[(3-bromo-5-methylphenyl)methyl]-3-propylphenyl]-2-oxoethoxy]nonanoate Traditional Name: 9-[2-amino-1-[4-(3-bromo-5-methyl-benzyl)-3-propyl-phenyl]-2-keto-ethoxy]pelargonic acid methyl ester Formula: C29H40BrNO4 MolecularWeight: 546.5362

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C(C(=O)N)OCCCCCCCCC(=O)OC)CC2=CC(=CC(=C2)C)Br

Isomeric SMILES

CCCC1=C(C=CC(=C1)C(C(=O)N)OCCCCCCCCC(=O)OC)CC2=CC(=CC(=C2)C)Br

InChI

InChI=1S/C29H40BrNO4/c1-4-11-23-20-25(14-13-24(23)18-22-16-21(2)17-26(30)19-22)28(29(31)33)35-15-10-8-6-5-7-9-12-27(32)34-3/h13-14,16-17,19-20,28H,4-12,15,18H2,1-3H3,(H2,31,33)