ethyl 6-(1,3-benzodioxol-5-yl)-2-methyl-3-phenylazanyl-4-pyrrolidin-1-yl-benzoate

Systemtic Name: ethyl 6-(1,3-benzodioxol-5-yl)-2-methyl-3-phenylazanyl-4-pyrrolidin-1-yl-benzoate Openeye Name: ethyl 3-anilino-6-(1,3-benzodioxol-5-yl)-2-methyl-4-pyrrolidin-1-yl-benzoate CAS Name: 3-anilino-6-(1,3-benzodioxol-5-yl)-2-methyl-4-(1-pyrrolidinyl)benzoic acid ethyl ester IUPAC Name: ethyl 3-anilino-6-(1,3-benzodioxol-5-yl)-2-methyl-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-anilino-6-(1,3-benzodioxol-5-yl)-2-methyl-4-pyrrolidino-benzoic acid ethyl ester Formula: C27H28N2O4 MolecularWeight: 444.52222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(C=C1C2=CC3=C(C=C2)OCO3)N4CCCC4)NC5=CC=CC=C5)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(C=C1C2=CC3=C(C=C2)OCO3)N4CCCC4)NC5=CC=CC=C5)C

InChI

InChI=1S/C27H28N2O4/c1-3-31-27(30)25-18(2)26(28-20-9-5-4-6-10-20)22(29-13-7-8-14-29)16-21(25)19-11-12-23-24(15-19)33-17-32-23/h4-6,9-12,15-16,28H,3,7-8,13-14,17H2,1-2H3