tert-butyl 2-[5-(3,3-dimethylbutanoylamino)-2-(phenylcarbamoyl)indol-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[5-(3,3-dimethylbutanoylamino)-2-(phenylcarbamoyl)indol-1-yl]ethanoate Openeye Name: tert-butyl 2-[5-(3,3-dimethylbutanoylamino)-2-(phenylcarbamoyl)indol-1-yl]acetate CAS Name: 2-[2-[anilino(oxo)methyl]-5-[(3,3-dimethyl-1-oxobutyl)amino]-1-indolyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[5-(3,3-dimethylbutanoylamino)-2-(phenylcarbamoyl)indol-1-yl]acetate Traditional Name: 2-[5-(3,3-dimethylbutanoylamino)-2-(phenylcarbamoyl)indol-1-yl]acetic acid tert-butyl ester Formula: C27H33N3O4 MolecularWeight: 463.56862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC1=CC2=C(C=C1)N(C(=C2)C(=O)NC3=CC=CC=C3)CC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)CC(=O)NC1=CC2=C(C=C1)N(C(=C2)C(=O)NC3=CC=CC=C3)CC(=O)OC(C)(C)C

InChI

InChI=1S/C27H33N3O4/c1-26(2,3)16-23(31)28-20-12-13-21-18(14-20)15-22(25(33)29-19-10-8-7-9-11-19)30(21)17-24(32)34-27(4,5)6/h7-15H,16-17H2,1-6H3,(H,28,31)(H,29,33)