methyl 4-(4-aminocarbonyl-5-methyl-2-pentyl-1-undecyl-pyrrol-3-yl)benzoate

Systemtic Name: methyl 4-(4-aminocarbonyl-5-methyl-2-pentyl-1-undecyl-pyrrol-3-yl)benzoate Openeye Name: methyl 4-(4-carbamoyl-5-methyl-2-pentyl-1-undecyl-pyrrol-3-yl)benzoate CAS Name: 4-(4-carbamoyl-5-methyl-2-pentyl-1-undecyl-3-pyrrolyl)benzoic acid methyl ester IUPAC Name: methyl 4-(4-carbamoyl-5-methyl-2-pentyl-1-undecylpyrrol-3-yl)benzoate Traditional Name: 4-(2-amyl-4-carbamoyl-5-methyl-1-undecyl-pyrrol-3-yl)benzoic acid methyl ester Formula: C30H46N2O3 MolecularWeight: 482.69784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCN1C(=C(C(=C1CCCCC)C2=CC=C(C=C2)C(=O)OC)C(=O)N)C

Isomeric SMILES

CCCCCCCCCCCN1C(=C(C(=C1CCCCC)C2=CC=C(C=C2)C(=O)OC)C(=O)N)C

InChI

InChI=1S/C30H46N2O3/c1-5-7-9-10-11-12-13-14-16-22-32-23(3)27(29(31)33)28(26(32)17-15-8-6-2)24-18-20-25(21-19-24)30(34)35-4/h18-21H,5-17,22H2,1-4H3,(H2,31,33)