tert-butyl 2-methyl-4-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]benzoate

Systemtic Name: tert-butyl 2-methyl-4-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]benzoate Openeye Name: tert-butyl 2-methyl-4-[(3S)-3-[[(1R)-1-(1-naphthyl)ethyl]amino]pyrrolidin-1-yl]benzoate CAS Name: 2-methyl-4-[(3S)-3-[[(1R)-1-(1-naphthalenyl)ethyl]amino]-1-pyrrolidinyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-methyl-4-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]benzoate Traditional Name: 2-methyl-4-[(3S)-3-[[(1R)-1-(1-naphthyl)ethyl]amino]pyrrolidino]benzoic acid tert-butyl ester Formula: C28H34N2O2 MolecularWeight: 430.58176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCC(C2)NC(C)C3=CC=CC4=CC=CC=C43)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC[C@@H](C2)N[C@H](C)C3=CC=CC4=CC=CC=C43)C(=O)OC(C)(C)C

InChI

InChI=1S/C28H34N2O2/c1-19-17-23(13-14-24(19)27(31)32-28(3,4)5)30-16-15-22(18-30)29-20(2)25-12-8-10-21-9-6-7-11-26(21)25/h6-14,17,20,22,29H,15-16,18H2,1-5H3/t20-,22+/m1/s1