methyl (2S)-2-(1-adamantyl)-2-[(4-methoxyphenyl)carbonylamino]ethanoate

Systemtic Name: methyl (2S)-2-(1-adamantyl)-2-[(4-methoxyphenyl)carbonylamino]ethanoate Openeye Name: methyl (2S)-2-(1-adamantyl)-2-[(4-methoxybenzoyl)amino]acetate CAS Name: (2S)-2-(1-adamantyl)-2-[[(4-methoxyphenyl)-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl (2S)-2-(1-adamantyl)-2-[(4-methoxybenzoyl)amino]acetate Traditional Name: (2S)-2-(1-adamantyl)-2-(p-anisoylamino)acetic acid methyl ester Formula: C21H27NO4 MolecularWeight: 357.44338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC(C(=O)OC)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N[C@H](C(=O)OC)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H27NO4/c1-25-17-5-3-16(4-6-17)19(23)22-18(20(24)26-2)21-10-13-7-14(11-21)9-15(8-13)12-21/h3-6,13-15,18H,7-12H2,1-2H3,(H,22,23)/t13?,14?,15?,18-,21?/m1/s1