2-[4-[(2S)-3-methoxy-2-[(3-methoxycarbonyl-1-adamantyl)carbonylamino]-3-oxidanylidene-propyl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[(2S)-3-methoxy-2-[(3-methoxycarbonyl-1-adamantyl)carbonylamino]-3-oxidanylidene-propyl]phenyl]ethanoic acid Openeye Name: 2-[4-[(2S)-3-methoxy-2-[(3-methoxycarbonyladamantane-1-carbonyl)amino]-3-oxo-propyl]phenyl]acetic acid CAS Name: 2-[4-[(2S)-3-methoxy-2-[[(3-methoxycarbonyl-1-adamantyl)-oxomethyl]amino]-3-oxopropyl]phenyl]acetic acid IUPAC Name: 2-[4-[(2S)-3-methoxy-2-[(3-methoxycarbonyladamantane-1-carbonyl)amino]-3-oxopropyl]phenyl]acetic acid Traditional Name: 2-[4-[(2S)-2-[(3-carbomethoxyadamantane-1-carbonyl)amino]-3-keto-3-methoxy-propyl]phenyl]acetic acid Formula: C25H31NO7 MolecularWeight: 457.51614

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)CC(=O)O)NC(=O)C23CC4CC(C2)CC(C4)(C3)C(=O)OC

Isomeric SMILES

COC(=O)[C@H](CC1=CC=C(C=C1)CC(=O)O)NC(=O)C23CC4CC(C2)CC(C4)(C3)C(=O)OC

InChI

InChI=1S/C25H31NO7/c1-32-21(29)19(8-15-3-5-16(6-4-15)9-20(27)28)26-22(30)24-10-17-7-18(11-24)13-25(12-17,14-24)23(31)33-2/h3-6,17-19H,7-14H2,1-2H3,(H,26,30)(H,27,28)/t17?,18?,19-,24?,25?/m0/s1